N-[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]-4-oxidanylidene-4-thiophen-2-yl-butanamide

Systemtic Name: N-[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]-4-oxidanylidene-4-thiophen-2-yl-butanamide Openeye Name: N-[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]-4-oxo-4-(2-thienyl)butanamide CAS Name: N-[3-(1-azepanylsulfonyl)-4-methylphenyl]-4-oxo-4-thiophen-2-ylbutanamide IUPAC Name: N-[3-(azepan-1-ylsulfonyl)-4-methylphenyl]-4-oxo-4-thiophen-2-ylbutanamide Traditional Name: N-[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]-4-keto-4-(2-thienyl)butyramide Formula: C21H26N2O4S2 MolecularWeight: 434.57214

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)CCC(=O)C2=CC=CS2)S(=O)(=O)N3CCCCCC3

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)CCC(=O)C2=CC=CS2)S(=O)(=O)N3CCCCCC3

InChI

InChI=1S/C21H26N2O4S2/c1-16-8-9-17(22-21(25)11-10-18(24)19-7-6-14-28-19)15-20(16)29(26,27)23-12-4-2-3-5-13-23/h6-9,14-15H,2-5,10-13H2,1H3,(H,22,25)