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

Systemtic Name: N-[2-(azepan-1-yl)-2-thiophen-3-yl-ethyl]-3-methoxy-benzenesulfonamide Openeye Name: N-[2-(azepan-1-yl)-2-(3-thienyl)ethyl]-3-methoxy-benzenesulfonamide CAS Name: N-[2-(1-azepanyl)-2-(3-thiophenyl)ethyl]-3-methoxybenzenesulfonamide IUPAC Name: N-[2-(azepan-1-yl)-2-thiophen-3-ylethyl]-3-methoxybenzenesulfonamide Traditional Name: N-[2-(azepan-1-yl)-2-(3-thienyl)ethyl]-3-methoxy-benzenesulfonamide Formula: C19H26N2O3S2 MolecularWeight: 394.55134

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC=C1)S(=O)(=O)NCC(C2=CSC=C2)N3CCCCCC3

Isomeric SMILES

COC1=CC(=CC=C1)S(=O)(=O)NCC(C2=CSC=C2)N3CCCCCC3

InChI

InChI=1S/C19H26N2O3S2/c1-24-17-7-6-8-18(13-17)26(22,23)20-14-19(16-9-12-25-15-16)21-10-4-2-3-5-11-21/h6-9,12-13,15,19-20H,2-5,10-11,14H2,1H3