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

Systemtic Name: N-[(2S)-2-(azepan-1-yl)-2-thiophen-3-yl-ethyl]-2-chloranyl-benzenesulfonamide Openeye Name: N-[(2S)-2-(azepan-1-yl)-2-(3-thienyl)ethyl]-2-chloro-benzenesulfonamide CAS Name: N-[(2S)-2-(1-azepanyl)-2-(3-thiophenyl)ethyl]-2-chlorobenzenesulfonamide IUPAC Name: N-[(2S)-2-(azepan-1-yl)-2-thiophen-3-ylethyl]-2-chlorobenzenesulfonamide Traditional Name: N-[(2S)-2-(azepan-1-yl)-2-(3-thienyl)ethyl]-2-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=C2Cl)C3=CSC=C3

Isomeric SMILES

C1CCCN(CC1)[C@H](CNS(=O)(=O)C2=CC=CC=C2Cl)C3=CSC=C3

InChI

InChI=1S/C18H23ClN2O2S2/c19-16-7-3-4-8-18(16)25(22,23)20-13-17(15-9-12-24-14-15)21-10-5-1-2-6-11-21/h3-4,7-9,12,14,17,20H,1-2,5-6,10-11,13H2/t17-/m1/s1