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

Systemtic Name: N2-(4-azanylcyclohexyl)-3-(4-fluorophenyl)sulfonyl-N1-prop-2-enyl-1,3-diazinane-1,2-dicarboxamide Openeye Name: N1-allyl-N2-(4-aminocyclohexyl)-3-(4-fluorophenyl)sulfonyl-hexahydropyrimidine-1,2-dicarboxamide CAS Name: N2-(4-aminocyclohexyl)-3-(4-fluorophenyl)sulfonyl-N1-prop-2-enyl-1,3-diazinane-1,2-dicarboxamide IUPAC Name: 2-N-(4-aminocyclohexyl)-3-(4-fluorophenyl)sulfonyl-1-N-prop-2-enyl-1,3-diazinane-1,2-dicarboxamide Traditional Name: N-allyl-N'-(4-aminocyclohexyl)-3-(4-fluorophenyl)sulfonyl-hexahydropyrimidine-1,2-dicarboxamide Formula: C21H30FN5O4S MolecularWeight: 467.557403

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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)F

Isomeric SMILES

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

InChI

InChI=1S/C21H30FN5O4S/c1-2-12-24-21(29)26-13-3-14-27(32(30,31)18-10-4-15(22)5-11-18)20(26)19(28)25-17-8-6-16(23)7-9-17/h2,4-5,10-11,16-17,20H,1,3,6-9,12-14,23H2,(H,24,29)(H,25,28)