N-[2-(azepan-1-yl)-2-thiophen-3-yl-ethyl]-3-(phenylsulfonyl)propanamide

Systemtic Name: N-[2-(azepan-1-yl)-2-thiophen-3-yl-ethyl]-3-(phenylsulfonyl)propanamide Openeye Name: N-[2-(azepan-1-yl)-2-(3-thienyl)ethyl]-3-(benzenesulfonyl)propanamide CAS Name: N-[2-(1-azepanyl)-2-(3-thiophenyl)ethyl]-3-(benzenesulfonyl)propanamide IUPAC Name: N-[2-(azepan-1-yl)-2-thiophen-3-ylethyl]-3-(benzenesulfonyl)propanamide Traditional Name: N-[2-(azepan-1-yl)-2-(3-thienyl)ethyl]-3-besyl-propionamide Formula: C21H28N2O3S2 MolecularWeight: 420.58862

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(CNC(=O)CCS(=O)(=O)C2=CC=CC=C2)C3=CSC=C3

Isomeric SMILES

C1CCCN(CC1)C(CNC(=O)CCS(=O)(=O)C2=CC=CC=C2)C3=CSC=C3

InChI

InChI=1S/C21H28N2O3S2/c24-21(11-15-28(25,26)19-8-4-3-5-9-19)22-16-20(18-10-14-27-17-18)23-12-6-1-2-7-13-23/h3-5,8-10,14,17,20H,1-2,6-7,11-13,15-16H2,(H,22,24)