N-[3-(azepan-1-ylsulfonyl)phenyl]-4-(5-methylthiophen-2-yl)-4-oxidanylidene-butanamide

Systemtic Name: N-[3-(azepan-1-ylsulfonyl)phenyl]-4-(5-methylthiophen-2-yl)-4-oxidanylidene-butanamide Openeye Name: N-[3-(azepan-1-ylsulfonyl)phenyl]-4-(5-methyl-2-thienyl)-4-oxo-butanamide CAS Name: N-[3-(1-azepanylsulfonyl)phenyl]-4-(5-methyl-2-thiophenyl)-4-oxobutanamide IUPAC Name: N-[3-(azepan-1-ylsulfonyl)phenyl]-4-(5-methylthiophen-2-yl)-4-oxobutanamide Traditional Name: N-[3-(azepan-1-ylsulfonyl)phenyl]-4-keto-4-(5-methyl-2-thienyl)butyramide Formula: C21H26N2O4S2 MolecularWeight: 434.57214

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(S1)C(=O)CCC(=O)NC2=CC(=CC=C2)S(=O)(=O)N3CCCCCC3

Isomeric SMILES

CC1=CC=C(S1)C(=O)CCC(=O)NC2=CC(=CC=C2)S(=O)(=O)N3CCCCCC3

InChI

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