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

Systemtic Name: N-[2-(azepan-1-yl)-2-thiophen-3-yl-ethyl]-3-ethanoyl-benzenesulfonamide Openeye Name: 3-acetyl-N-[2-(azepan-1-yl)-2-(3-thienyl)ethyl]benzenesulfonamide CAS Name: 3-acetyl-N-[2-(1-azepanyl)-2-(3-thiophenyl)ethyl]benzenesulfonamide IUPAC Name: 3-acetyl-N-[2-(azepan-1-yl)-2-thiophen-3-ylethyl]benzenesulfonamide Traditional Name: 3-acetyl-N-[2-(azepan-1-yl)-2-(3-thienyl)ethyl]benzenesulfonamide Formula: C20H26N2O3S2 MolecularWeight: 406.56204

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC(=CC=C1)S(=O)(=O)NCC(C2=CSC=C2)N3CCCCCC3

Isomeric SMILES

CC(=O)C1=CC(=CC=C1)S(=O)(=O)NCC(C2=CSC=C2)N3CCCCCC3

InChI

InChI=1S/C20H26N2O3S2/c1-16(23)17-7-6-8-19(13-17)27(24,25)21-14-20(18-9-12-26-15-18)22-10-4-2-3-5-11-22/h6-9,12-13,15,20-21H,2-5,10-11,14H2,1H3