Basic information
- CAS
17415-89-3- Standard SMILES
Cc1ccc(S(=O)(=O)NCCCNC(=O)OCc2ccccc2)cc1- InChIKey
LOBBCVCUACLFOG-UHFFFAOYSA-N- Molecular formula
- C18H22N2O4S
- Average molar mass
- 362.4 g/mol
- Monoisotopic mass
- 362.13002836
Names & identifiers
- Preferred name
- Benzyl (3-((4-methylphenyl)sulfonamido)propyl)carbamate
- IUPAC
- benzyl N-[3-[(4-methylphenyl)sulfonylamino]propyl]carbamate
Names & synonyms
17415-89-3NSC101193MLS002703597benzyl (3-((4-methylphenyl)sulfonamido)propyl)carbamateCHEMBL1878891DTXSID40938474NSC-101193SMR001570314DB-400563benzyl N-[3-(p-tolylsulfonylamino)propyl]carbamateBenzyl 3-(((4-methylphenyl)sulfonyl)amino)propylcarbamateBenzyl hydrogen [3-(4-methylbenzene-1-sulfonamido)propyl]carbonimidate
Show more names
Benzyl hydrogen {3-[(4-methylbenzene-1-sulfonyl)amino]propyl}carbonimidate
Database identifiers
- CAS
17415-89-3- PubChem CID
- 265307
- DTXSID
DTXSID40938474- ChEMBL
CHEMBL1878891
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 92.9 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 9
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 490
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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