N-[2-(azepan-1-yl)-2-thiophen-3-yl-ethyl]-2-(4-methoxyphenyl)ethanesulfonamide

Systemtic Name: N-[2-(azepan-1-yl)-2-thiophen-3-yl-ethyl]-2-(4-methoxyphenyl)ethanesulfonamide Openeye Name: N-[2-(azepan-1-yl)-2-(3-thienyl)ethyl]-2-(4-methoxyphenyl)ethanesulfonamide CAS Name: N-[2-(1-azepanyl)-2-(3-thiophenyl)ethyl]-2-(4-methoxyphenyl)ethanesulfonamide IUPAC Name: N-[2-(azepan-1-yl)-2-thiophen-3-ylethyl]-2-(4-methoxyphenyl)ethanesulfonamide Traditional Name: N-[2-(azepan-1-yl)-2-(3-thienyl)ethyl]-2-(4-methoxyphenyl)ethanesulfonamide Formula: C21H30N2O3S2 MolecularWeight: 422.6045

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CCS(=O)(=O)NCC(C2=CSC=C2)N3CCCCCC3

Isomeric SMILES

COC1=CC=C(C=C1)CCS(=O)(=O)NCC(C2=CSC=C2)N3CCCCCC3

InChI

InChI=1S/C21H30N2O3S2/c1-26-20-8-6-18(7-9-20)11-15-28(24,25)22-16-21(19-10-14-27-17-19)23-12-4-2-3-5-13-23/h6-10,14,17,21-22H,2-5,11-13,15-16H2,1H3