N-[1-(4-methylphenyl)-3-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]-3-oxidanylidene-propyl]ethanamide

Systemtic Name: N-[1-(4-methylphenyl)-3-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]-3-oxidanylidene-propyl]ethanamide Openeye Name: N-[3-oxo-1-(p-tolyl)-3-[4-(p-tolylsulfonyl)-1,4-diazepan-1-yl]propyl]acetamide CAS Name: N-[1-(4-methylphenyl)-3-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]-3-oxopropyl]acetamide IUPAC Name: N-[1-(4-methylphenyl)-3-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]-3-oxopropyl]acetamide Traditional Name: N-[3-keto-1-(p-tolyl)-3-(4-tosyl-1,4-diazepan-1-yl)propyl]acetamide Formula: C24H31N3O4S MolecularWeight: 457.58564

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H31N3O4S/c1-18-5-9-21(10-6-18)23(25-20(3)28)17-24(29)26-13-4-14-27(16-15-26)32(30,31)22-11-7-19(2)8-12-22/h5-12,23H,4,13-17H2,1-3H3,(H,25,28)