N-[(Z)-3-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]-3-oxidanylidene-1-phenyl-prop-1-en-2-yl]ethanamide

Systemtic Name: N-[(Z)-3-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]-3-oxidanylidene-1-phenyl-prop-1-en-2-yl]ethanamide Openeye Name: N-[(Z)-2-phenyl-1-[4-(p-tolylsulfonyl)-1,4-diazepane-1-carbonyl]vinyl]acetamide CAS Name: N-[(Z)-3-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]-3-oxo-1-phenylprop-1-en-2-yl]acetamide IUPAC Name: N-[(Z)-3-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]-3-oxo-1-phenylprop-1-en-2-yl]acetamide Traditional Name: N-[(Z)-2-phenyl-1-(4-tosyl-1,4-diazepane-1-carbonyl)vinyl]acetamide Formula: C23H27N3O4S MolecularWeight: 441.54318

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H27N3O4S/c1-18-9-11-21(12-10-18)31(29,30)26-14-6-13-25(15-16-26)23(28)22(24-19(2)27)17-20-7-4-3-5-8-20/h3-5,7-12,17H,6,13-16H2,1-2H3,(H,24,27)/b22-17-