3,5-dimethyl-N-[2-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]-2-oxidanylidene-ethyl]benzamide

Systemtic Name: 3,5-dimethyl-N-[2-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]-2-oxidanylidene-ethyl]benzamide Openeye Name: 3,5-dimethyl-N-[2-oxo-2-[4-(p-tolylsulfonyl)-1,4-diazepan-1-yl]ethyl]benzamide CAS Name: 3,5-dimethyl-N-[2-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]-2-oxoethyl]benzamide IUPAC Name: 3,5-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]-3,5-dimethyl-benzamide Formula: C23H29N3O4S MolecularWeight: 443.55906

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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