N-(4-methylphenyl)-2-[1-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]-1-oxidanylidene-propan-2-yl]sulfanyl-ethanamide

Systemtic Name: N-(4-methylphenyl)-2-[1-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]-1-oxidanylidene-propan-2-yl]sulfanyl-ethanamide Openeye Name: 2-[1-methyl-2-oxo-2-[4-(p-tolylsulfonyl)-1,4-diazepan-1-yl]ethyl]sulfanyl-N-(p-tolyl)acetamide CAS Name: N-(4-methylphenyl)-2-[[1-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]-1-oxopropan-2-yl]thio]acetamide IUPAC Name: N-(4-methylphenyl)-2-[1-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]-1-oxopropan-2-yl]sulfanylacetamide Traditional Name: 2-[[2-keto-1-methyl-2-(4-tosyl-1,4-diazepan-1-yl)ethyl]thio]-N-(p-tolyl)acetamide Formula: C24H31N3O4S2 MolecularWeight: 489.65064

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H31N3O4S2/c1-18-5-9-21(10-6-18)25-23(28)17-32-20(3)24(29)26-13-4-14-27(16-15-26)33(30,31)22-11-7-19(2)8-12-22/h5-12,20H,4,13-17H2,1-3H3,(H,25,28)