(S)-(-)-4-[4-[2-(Isochroman-1-yl)ethyl]homopiperazin-1-yl]benzenesulfonamide

HCID 53677310
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Basic information

Standard SMILES
NS(=O)(=O)c1ccc(N2CCCN(CC[C@@H]3OCCc4ccccc43)CC2)cc1
InChIKey
BECDFKNOBZYKDM-QFIPXVFZSA-N
Molecular formula
C22H29N3O3S
Average molar mass
415.6 g/mol
Monoisotopic mass
415.19296297

Names & identifiers

Preferred name
(S)-(-)-4-[4-[2-(Isochroman-1-yl)ethyl]homopiperazin-1-yl]benzenesulfonamide
IUPAC
4-[4-[2-[(1S)-3,4-dihydro-1H-isochromen-1-yl]ethyl]-1,4-diazepan-1-yl]benzenesulfonamide

Names & synonyms

SCHEMBL7399904BECDFKNOBZYKDM-QFIPXVFZSA-N(S)-(-)-4-[4-[2-(Isochroman-1-yl)ethyl]homopiperazin-1-yl]benzenesulfonamide

Database identifiers

PubChem CID
53677310

Properties

Computed structural properties

XLogP
2.6
Topological polar surface area
84.3 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
6
Rotatable bonds
5
Heavy atoms
29

Related reactions

2 records
New reaction record

Linked notes

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