N-[2-(azepan-1-yl)-2-thiophen-3-yl-ethyl]-1-(3,4-dimethoxyphenyl)methanesulfonamide

Systemtic Name: N-[2-(azepan-1-yl)-2-thiophen-3-yl-ethyl]-1-(3,4-dimethoxyphenyl)methanesulfonamide Openeye Name: N-[2-(azepan-1-yl)-2-(3-thienyl)ethyl]-1-(3,4-dimethoxyphenyl)methanesulfonamide CAS Name: N-[2-(1-azepanyl)-2-(3-thiophenyl)ethyl]-1-(3,4-dimethoxyphenyl)methanesulfonamide IUPAC Name: N-[2-(azepan-1-yl)-2-thiophen-3-ylethyl]-1-(3,4-dimethoxyphenyl)methanesulfonamide Traditional Name: N-[2-(azepan-1-yl)-2-(3-thienyl)ethyl]-1-(3,4-dimethoxyphenyl)methanesulfonamide Formula: C21H30N2O4S2 MolecularWeight: 438.6039

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CS(=O)(=O)NCC(C2=CSC=C2)N3CCCCCC3)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CS(=O)(=O)NCC(C2=CSC=C2)N3CCCCCC3)OC

InChI

InChI=1S/C21H30N2O4S2/c1-26-20-8-7-17(13-21(20)27-2)16-29(24,25)22-14-19(18-9-12-28-15-18)23-10-5-3-4-6-11-23/h7-9,12-13,15,19,22H,3-6,10-11,14,16H2,1-2H3