N-methyl-4-[(E)-3-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]-3-oxidanylidene-prop-1-enyl]benzamide

Systemtic Name: N-methyl-4-[(E)-3-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]-3-oxidanylidene-prop-1-enyl]benzamide Openeye Name: N-methyl-4-[(E)-3-oxo-3-[4-(p-tolylsulfonyl)-1,4-diazepan-1-yl]prop-1-enyl]benzamide CAS Name: N-methyl-4-[(E)-3-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]-3-oxoprop-1-enyl]benzamide IUPAC Name: N-methyl-4-[(E)-3-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]-3-oxoprop-1-enyl]benzamide Traditional Name: 4-[(E)-3-keto-3-(4-tosyl-1,4-diazepan-1-yl)prop-1-enyl]-N-methyl-benzamide Formula: C23H27N3O4S MolecularWeight: 441.54318

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCCN(CC2)C(=O)C=CC3=CC=C(C=C3)C(=O)NC

Isomeric SMILES

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

InChI

InChI=1S/C23H27N3O4S/c1-18-4-11-21(12-5-18)31(29,30)26-15-3-14-25(16-17-26)22(27)13-8-19-6-9-20(10-7-19)23(28)24-2/h4-13H,3,14-17H2,1-2H3,(H,24,28)/b13-8+