N-(4-azanylcyclohexyl)-1-(2-cyclopentyl-2-phenyl-ethanoyl)-3-thiophen-2-ylsulfonyl-1,3-diazinane-2-carboxamide

Systemtic Name: N-(4-azanylcyclohexyl)-1-(2-cyclopentyl-2-phenyl-ethanoyl)-3-thiophen-2-ylsulfonyl-1,3-diazinane-2-carboxamide Openeye Name: N-(4-aminocyclohexyl)-1-(2-cyclopentyl-2-phenyl-acetyl)-3-(2-thienylsulfonyl)hexahydropyrimidine-2-carboxamide CAS Name: N-(4-aminocyclohexyl)-1-(2-cyclopentyl-1-oxo-2-phenylethyl)-3-thiophen-2-ylsulfonyl-1,3-diazinane-2-carboxamide IUPAC Name: N-(4-aminocyclohexyl)-1-(2-cyclopentyl-2-phenylacetyl)-3-thiophen-2-ylsulfonyl-1,3-diazinane-2-carboxamide Traditional Name: N-(4-aminocyclohexyl)-1-(2-cyclopentyl-2-phenyl-acetyl)-3-(2-thienylsulfonyl)hexahydropyrimidine-2-carboxamide Formula: C28H38N4O4S2 MolecularWeight: 558.75572

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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)C5=CC=CS5

Isomeric SMILES

C1CCC(C1)C(C2=CC=CC=C2)C(=O)N3CCCN(C3C(=O)NC4CCC(CC4)N)S(=O)(=O)C5=CC=CS5

InChI

InChI=1S/C28H38N4O4S2/c29-22-13-15-23(16-14-22)30-26(33)27-31(17-7-18-32(27)38(35,36)24-12-6-19-37-24)28(34)25(21-10-4-5-11-21)20-8-2-1-3-9-20/h1-3,6,8-9,12,19,21-23,25,27H,4-5,7,10-11,13-18,29H2,(H,30,33)