N-[2-(azepan-1-yl)-2-thiophen-3-yl-ethyl]-1-(2-methylphenyl)methanesulfonamide

Systemtic Name: N-[2-(azepan-1-yl)-2-thiophen-3-yl-ethyl]-1-(2-methylphenyl)methanesulfonamide Openeye Name: N-[2-(azepan-1-yl)-2-(3-thienyl)ethyl]-1-(o-tolyl)methanesulfonamide CAS Name: N-[2-(1-azepanyl)-2-(3-thiophenyl)ethyl]-1-(2-methylphenyl)methanesulfonamide IUPAC Name: N-[2-(azepan-1-yl)-2-thiophen-3-ylethyl]-1-(2-methylphenyl)methanesulfonamide Traditional Name: N-[2-(azepan-1-yl)-2-(3-thienyl)ethyl]-1-(o-tolyl)methanesulfonamide Formula: C20H28N2O2S2 MolecularWeight: 392.57852

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CS(=O)(=O)NCC(C2=CSC=C2)N3CCCCCC3

Isomeric SMILES

CC1=CC=CC=C1CS(=O)(=O)NCC(C2=CSC=C2)N3CCCCCC3

InChI

InChI=1S/C20H28N2O2S2/c1-17-8-4-5-9-19(17)16-26(23,24)21-14-20(18-10-13-25-15-18)22-11-6-2-3-7-12-22/h4-5,8-10,13,15,20-21H,2-3,6-7,11-12,14,16H2,1H3