N-[(2S)-2-(azepan-1-yl)-2-thiophen-3-yl-ethyl]-3-chloranyl-benzenesulfonamide

Systemtic Name: N-[(2S)-2-(azepan-1-yl)-2-thiophen-3-yl-ethyl]-3-chloranyl-benzenesulfonamide Openeye Name: N-[(2S)-2-(azepan-1-yl)-2-(3-thienyl)ethyl]-3-chloro-benzenesulfonamide CAS Name: N-[(2S)-2-(1-azepanyl)-2-(3-thiophenyl)ethyl]-3-chlorobenzenesulfonamide IUPAC Name: N-[(2S)-2-(azepan-1-yl)-2-thiophen-3-ylethyl]-3-chlorobenzenesulfonamide Traditional Name: N-[(2S)-2-(azepan-1-yl)-2-(3-thienyl)ethyl]-3-chloro-benzenesulfonamide Formula: C18H23ClN2O2S2 MolecularWeight: 398.97042

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(CNS(=O)(=O)C2=CC(=CC=C2)Cl)C3=CSC=C3

Isomeric SMILES

C1CCCN(CC1)[C@H](CNS(=O)(=O)C2=CC(=CC=C2)Cl)C3=CSC=C3

InChI

InChI=1S/C18H23ClN2O2S2/c19-16-6-5-7-17(12-16)25(22,23)20-13-18(15-8-11-24-14-15)21-9-3-1-2-4-10-21/h5-8,11-12,14,18,20H,1-4,9-10,13H2/t18-/m1/s1