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

Systemtic Name: N2-(2-azanylethyl)-N1-(4-methylphenyl)-3-(phenylmethyl)sulfonyl-1,3-diazinane-1,2-dicarboxamide Openeye Name: N2-(2-aminoethyl)-3-benzylsulfonyl-N1-(p-tolyl)hexahydropyrimidine-1,2-dicarboxamide CAS Name: N2-(2-aminoethyl)-N1-(4-methylphenyl)-3-(phenylmethyl)sulfonyl-1,3-diazinane-1,2-dicarboxamide IUPAC Name: 2-N-(2-aminoethyl)-3-benzylsulfonyl-1-N-(4-methylphenyl)-1,3-diazinane-1,2-dicarboxamide Traditional Name: N'-(2-aminoethyl)-3-benzylsulfonyl-N-(p-tolyl)hexahydropyrimidine-1,2-dicarboxamide Formula: C22H29N5O4S MolecularWeight: 459.56176

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC(=O)N2CCCN(C2C(=O)NCCN)S(=O)(=O)CC3=CC=CC=C3

Isomeric SMILES

CC1=CC=C(C=C1)NC(=O)N2CCCN(C2C(=O)NCCN)S(=O)(=O)CC3=CC=CC=C3

InChI

InChI=1S/C22H29N5O4S/c1-17-8-10-19(11-9-17)25-22(29)26-14-5-15-27(21(26)20(28)24-13-12-23)32(30,31)16-18-6-3-2-4-7-18/h2-4,6-11,21H,5,12-16,23H2,1H3,(H,24,28)(H,25,29)