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

Systemtic Name: N2-(4-azanylcyclohexyl)-3-(phenylmethyl)sulfonyl-N1-prop-2-enyl-1,3-diazinane-1,2-dicarboxamide Openeye Name: N1-allyl-N2-(4-aminocyclohexyl)-3-benzylsulfonyl-hexahydropyrimidine-1,2-dicarboxamide CAS Name: N2-(4-aminocyclohexyl)-3-(phenylmethyl)sulfonyl-N1-prop-2-enyl-1,3-diazinane-1,2-dicarboxamide IUPAC Name: 2-N-(4-aminocyclohexyl)-3-benzylsulfonyl-1-N-prop-2-enyl-1,3-diazinane-1,2-dicarboxamide Traditional Name: N-allyl-N'-(4-aminocyclohexyl)-3-benzylsulfonyl-hexahydropyrimidine-1,2-dicarboxamide Formula: C22H33N5O4S MolecularWeight: 463.59352

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H33N5O4S/c1-2-13-24-22(29)26-14-6-15-27(32(30,31)16-17-7-4-3-5-8-17)21(26)20(28)25-19-11-9-18(23)10-12-19/h2-5,7-8,18-19,21H,1,6,9-16,23H2,(H,24,29)(H,25,28)