N-[2-methyl-5-[[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]carbonyl]phenyl]benzamide

Systemtic Name: N-[2-methyl-5-[[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]carbonyl]phenyl]benzamide Openeye Name: N-[2-methyl-5-[4-(p-tolylsulfonyl)-1,4-diazepane-1-carbonyl]phenyl]benzamide CAS Name: N-[2-methyl-5-[[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]-oxomethyl]phenyl]benzamide IUPAC Name: N-[2-methyl-5-[4-(4-methylphenyl)sulfonyl-1,4-diazepane-1-carbonyl]phenyl]benzamide Traditional Name: N-[2-methyl-5-(4-tosyl-1,4-diazepane-1-carbonyl)phenyl]benzamide Formula: C27H29N3O4S MolecularWeight: 491.60186

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCCN(CC2)C(=O)C3=CC(=C(C=C3)C)NC(=O)C4=CC=CC=C4

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCCN(CC2)C(=O)C3=CC(=C(C=C3)C)NC(=O)C4=CC=CC=C4

InChI

InChI=1S/C27H29N3O4S/c1-20-9-13-24(14-10-20)35(33,34)30-16-6-15-29(17-18-30)27(32)23-12-11-21(2)25(19-23)28-26(31)22-7-4-3-5-8-22/h3-5,7-14,19H,6,15-18H2,1-2H3,(H,28,31)