N-[2-(azepan-1-yl)-2-thiophen-3-yl-ethyl]-1-(2,5-dimethylphenyl)methanesulfonamide

Systemtic Name: N-[2-(azepan-1-yl)-2-thiophen-3-yl-ethyl]-1-(2,5-dimethylphenyl)methanesulfonamide Openeye Name: N-[2-(azepan-1-yl)-2-(3-thienyl)ethyl]-1-(2,5-dimethylphenyl)methanesulfonamide CAS Name: N-[2-(1-azepanyl)-2-(3-thiophenyl)ethyl]-1-(2,5-dimethylphenyl)methanesulfonamide IUPAC Name: N-[2-(azepan-1-yl)-2-thiophen-3-ylethyl]-1-(2,5-dimethylphenyl)methanesulfonamide Traditional Name: N-[2-(azepan-1-yl)-2-(3-thienyl)ethyl]-1-(2,5-dimethylphenyl)methanesulfonamide Formula: C21H30N2O2S2 MolecularWeight: 406.6051

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)CS(=O)(=O)NCC(C2=CSC=C2)N3CCCCCC3

Isomeric SMILES

CC1=CC(=C(C=C1)C)CS(=O)(=O)NCC(C2=CSC=C2)N3CCCCCC3

InChI

InChI=1S/C21H30N2O2S2/c1-17-7-8-18(2)20(13-17)16-27(24,25)22-14-21(19-9-12-26-15-19)23-10-5-3-4-6-11-23/h7-9,12-13,15,21-22H,3-6,10-11,14,16H2,1-2H3