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

Systemtic Name: N2-(4-azanylcyclohexyl)-N1-ethyl-3-(phenylmethyl)sulfonyl-1,3-diazinane-1,2-dicarboxamide Openeye Name: N2-(4-aminocyclohexyl)-3-benzylsulfonyl-N1-ethyl-hexahydropyrimidine-1,2-dicarboxamide CAS Name: N2-(4-aminocyclohexyl)-N1-ethyl-3-(phenylmethyl)sulfonyl-1,3-diazinane-1,2-dicarboxamide IUPAC Name: 2-N-(4-aminocyclohexyl)-3-benzylsulfonyl-1-N-ethyl-1,3-diazinane-1,2-dicarboxamide Traditional Name: N'-(4-aminocyclohexyl)-3-benzylsulfonyl-N-ethyl-hexahydropyrimidine-1,2-dicarboxamide Formula: C21H33N5O4S MolecularWeight: 451.58282

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Descriptors Computed from Structure

Canonical SMILES:

CCNC(=O)N1CCCN(C1C(=O)NC2CCC(CC2)N)S(=O)(=O)CC3=CC=CC=C3

Isomeric SMILES

CCNC(=O)N1CCCN(C1C(=O)NC2CCC(CC2)N)S(=O)(=O)CC3=CC=CC=C3

InChI

InChI=1S/C21H33N5O4S/c1-2-23-21(28)25-13-6-14-26(31(29,30)15-16-7-4-3-5-8-16)20(25)19(27)24-18-11-9-17(22)10-12-18/h3-5,7-8,17-18,20H,2,6,9-15,22H2,1H3,(H,23,28)(H,24,27)