3,4-dimethyl-N-[2-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]-2-oxidanylidene-ethyl]benzamide

Systemtic Name: 3,4-dimethyl-N-[2-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]-2-oxidanylidene-ethyl]benzamide Openeye Name: 3,4-dimethyl-N-[2-oxo-2-[4-(p-tolylsulfonyl)-1,4-diazepan-1-yl]ethyl]benzamide CAS Name: 3,4-dimethyl-N-[2-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]-2-oxoethyl]benzamide IUPAC Name: 3,4-dimethyl-N-[2-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]-2-oxoethyl]benzamide Traditional Name: N-[2-keto-2-(4-tosyl-1,4-diazepan-1-yl)ethyl]-3,4-dimethyl-benzamide Formula: C23H29N3O4S MolecularWeight: 443.55906

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCCN(CC2)C(=O)CNC(=O)C3=CC(=C(C=C3)C)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCCN(CC2)C(=O)CNC(=O)C3=CC(=C(C=C3)C)C

InChI

InChI=1S/C23H29N3O4S/c1-17-5-9-21(10-6-17)31(29,30)26-12-4-11-25(13-14-26)22(27)16-24-23(28)20-8-7-18(2)19(3)15-20/h5-10,15H,4,11-14,16H2,1-3H3,(H,24,28)