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

Systemtic Name: N2-(4-azanylcyclohexyl)-3-(3,4-dichlorophenyl)sulfonyl-N1-prop-2-enyl-1,3-diazinane-1,2-dicarboxamide Openeye Name: N1-allyl-N2-(4-aminocyclohexyl)-3-(3,4-dichlorophenyl)sulfonyl-hexahydropyrimidine-1,2-dicarboxamide CAS Name: N2-(4-aminocyclohexyl)-3-(3,4-dichlorophenyl)sulfonyl-N1-prop-2-enyl-1,3-diazinane-1,2-dicarboxamide IUPAC Name: 2-N-(4-aminocyclohexyl)-3-(3,4-dichlorophenyl)sulfonyl-1-N-prop-2-enyl-1,3-diazinane-1,2-dicarboxamide Traditional Name: N-allyl-N'-(4-aminocyclohexyl)-3-(3,4-dichlorophenyl)sulfonyl-hexahydropyrimidine-1,2-dicarboxamide Formula: C21H29Cl2N5O4S MolecularWeight: 518.45706

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H29Cl2N5O4S/c1-2-10-25-21(30)27-11-3-12-28(33(31,32)16-8-9-17(22)18(23)13-16)20(27)19(29)26-15-6-4-14(24)5-7-15/h2,8-9,13-15,20H,1,3-7,10-12,24H2,(H,25,30)(H,26,29)