N2-(4-azanylcyclohexyl)-N1-(4-methylphenyl)-3-(phenylmethyl)sulfonyl-1,3-diazinane-1,2-dicarboxamide

Systemtic Name: N2-(4-azanylcyclohexyl)-N1-(4-methylphenyl)-3-(phenylmethyl)sulfonyl-1,3-diazinane-1,2-dicarboxamide Openeye Name: N2-(4-aminocyclohexyl)-3-benzylsulfonyl-N1-(p-tolyl)hexahydropyrimidine-1,2-dicarboxamide CAS Name: N2-(4-aminocyclohexyl)-N1-(4-methylphenyl)-3-(phenylmethyl)sulfonyl-1,3-diazinane-1,2-dicarboxamide IUPAC Name: 2-N-(4-aminocyclohexyl)-3-benzylsulfonyl-1-N-(4-methylphenyl)-1,3-diazinane-1,2-dicarboxamide Traditional Name: N'-(4-aminocyclohexyl)-3-benzylsulfonyl-N-(p-tolyl)hexahydropyrimidine-1,2-dicarboxamide Formula: C26H35N5O4S MolecularWeight: 513.6522

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC(=O)N2CCCN(C2C(=O)NC3CCC(CC3)N)S(=O)(=O)CC4=CC=CC=C4

Isomeric SMILES

CC1=CC=C(C=C1)NC(=O)N2CCCN(C2C(=O)NC3CCC(CC3)N)S(=O)(=O)CC4=CC=CC=C4

InChI

InChI=1S/C26H35N5O4S/c1-19-8-12-23(13-9-19)29-26(33)30-16-5-17-31(36(34,35)18-20-6-3-2-4-7-20)25(30)24(32)28-22-14-10-21(27)11-15-22/h2-4,6-9,12-13,21-22,25H,5,10-11,14-18,27H2,1H3,(H,28,32)(H,29,33)