N-(4-azanylcyclohexyl)-1-(2-cyclopentyl-2-phenyl-ethanoyl)-3-(phenylmethyl)sulfonyl-1,3-diazinane-2-carboxamide

Systemtic Name: N-(4-azanylcyclohexyl)-1-(2-cyclopentyl-2-phenyl-ethanoyl)-3-(phenylmethyl)sulfonyl-1,3-diazinane-2-carboxamide Openeye Name: N-(4-aminocyclohexyl)-1-benzylsulfonyl-3-(2-cyclopentyl-2-phenyl-acetyl)hexahydropyrimidine-2-carboxamide CAS Name: N-(4-aminocyclohexyl)-1-(2-cyclopentyl-1-oxo-2-phenylethyl)-3-(phenylmethyl)sulfonyl-1,3-diazinane-2-carboxamide IUPAC Name: N-(4-aminocyclohexyl)-1-benzylsulfonyl-3-(2-cyclopentyl-2-phenylacetyl)-1,3-diazinane-2-carboxamide Traditional Name: N-(4-aminocyclohexyl)-1-benzylsulfonyl-3-(2-cyclopentyl-2-phenyl-acetyl)hexahydropyrimidine-2-carboxamide Formula: C31H42N4O4S MolecularWeight: 566.75458

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)C(C2=CC=CC=C2)C(=O)N3CCCN(C3C(=O)NC4CCC(CC4)N)S(=O)(=O)CC5=CC=CC=C5

Isomeric SMILES

C1CCC(C1)C(C2=CC=CC=C2)C(=O)N3CCCN(C3C(=O)NC4CCC(CC4)N)S(=O)(=O)CC5=CC=CC=C5

InChI

InChI=1S/C31H42N4O4S/c32-26-16-18-27(19-17-26)33-29(36)30-34(20-9-21-35(30)40(38,39)22-23-10-3-1-4-11-23)31(37)28(25-14-7-8-15-25)24-12-5-2-6-13-24/h1-6,10-13,25-28,30H,7-9,14-22,32H2,(H,33,36)