3-(azepan-1-ylsulfonyl)-N-methyl-N-[2-[(4-methylphenyl)amino]-2-oxidanylidene-ethyl]benzamide

Systemtic Name: 3-(azepan-1-ylsulfonyl)-N-methyl-N-[2-[(4-methylphenyl)amino]-2-oxidanylidene-ethyl]benzamide Openeye Name: 3-(azepan-1-ylsulfonyl)-N-methyl-N-[2-(4-methylanilino)-2-oxo-ethyl]benzamide CAS Name: 3-(1-azepanylsulfonyl)-N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]benzamide IUPAC Name: 3-(azepan-1-ylsulfonyl)-N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]benzamide Traditional Name: 3-(azepan-1-ylsulfonyl)-N-[2-keto-2-(p-toluidino)ethyl]-N-methyl-benzamide Formula: C23H29N3O4S MolecularWeight: 443.55906

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H29N3O4S/c1-18-10-12-20(13-11-18)24-22(27)17-25(2)23(28)19-8-7-9-21(16-19)31(29,30)26-14-5-3-4-6-15-26/h7-13,16H,3-6,14-15,17H2,1-2H3,(H,24,27)