N-(4-azanylcyclohexyl)-1-(4-fluorophenyl)sulfonyl-3-(3-phenylpropanoyl)-1,3-diazinane-2-carboxamide

Systemtic Name: N-(4-azanylcyclohexyl)-1-(4-fluorophenyl)sulfonyl-3-(3-phenylpropanoyl)-1,3-diazinane-2-carboxamide Openeye Name: N-(4-aminocyclohexyl)-1-(4-fluorophenyl)sulfonyl-3-(3-phenylpropanoyl)hexahydropyrimidine-2-carboxamide CAS Name: N-(4-aminocyclohexyl)-1-(4-fluorophenyl)sulfonyl-3-(1-oxo-3-phenylpropyl)-1,3-diazinane-2-carboxamide IUPAC Name: N-(4-aminocyclohexyl)-1-(4-fluorophenyl)sulfonyl-3-(3-phenylpropanoyl)-1,3-diazinane-2-carboxamide Traditional Name: N-(4-aminocyclohexyl)-1-(4-fluorophenyl)sulfonyl-3-hydrocinnamoyl-hexahydropyrimidine-2-carboxamide Formula: C26H33FN4O4S MolecularWeight: 516.628023

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C(N(C1)S(=O)(=O)C2=CC=C(C=C2)F)C(=O)NC3CCC(CC3)N)C(=O)CCC4=CC=CC=C4

Isomeric SMILES

C1CN(C(N(C1)S(=O)(=O)C2=CC=C(C=C2)F)C(=O)NC3CCC(CC3)N)C(=O)CCC4=CC=CC=C4

InChI

InChI=1S/C26H33FN4O4S/c27-20-8-14-23(15-9-20)36(34,35)31-18-4-17-30(24(32)16-7-19-5-2-1-3-6-19)26(31)25(33)29-22-12-10-21(28)11-13-22/h1-3,5-6,8-9,14-15,21-22,26H,4,7,10-13,16-18,28H2,(H,29,33)