4-[[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]carbonyl]benzamide

Systemtic Name: 4-[[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]carbonyl]benzamide Openeye Name: 4-[4-(p-tolylsulfonyl)-1,4-diazepane-1-carbonyl]benzamide CAS Name: 4-[[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]-oxomethyl]benzamide IUPAC Name: 4-[4-(4-methylphenyl)sulfonyl-1,4-diazepane-1-carbonyl]benzamide Traditional Name: 4-(4-tosyl-1,4-diazepane-1-carbonyl)benzamide Formula: C20H23N3O4S MolecularWeight: 401.47932

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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(=O)N

Isomeric SMILES

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

InChI

InChI=1S/C20H23N3O4S/c1-15-3-9-18(10-4-15)28(26,27)23-12-2-11-22(13-14-23)20(25)17-7-5-16(6-8-17)19(21)24/h3-10H,2,11-14H2,1H3,(H2,21,24)