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

Systemtic Name: N-(4-azanylcyclohexyl)-1-(phenylmethyl)sulfonyl-3-(3-phenylpropanoyl)-1,3-diazinane-2-carboxamide Openeye Name: N-(4-aminocyclohexyl)-1-benzylsulfonyl-3-(3-phenylpropanoyl)hexahydropyrimidine-2-carboxamide CAS Name: N-(4-aminocyclohexyl)-1-(1-oxo-3-phenylpropyl)-3-(phenylmethyl)sulfonyl-1,3-diazinane-2-carboxamide IUPAC Name: N-(4-aminocyclohexyl)-1-benzylsulfonyl-3-(3-phenylpropanoyl)-1,3-diazinane-2-carboxamide Traditional Name: N-(4-aminocyclohexyl)-1-benzylsulfonyl-3-hydrocinnamoyl-hexahydropyrimidine-2-carboxamide Formula: C27H36N4O4S MolecularWeight: 512.66414

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C(N(C1)S(=O)(=O)CC2=CC=CC=C2)C(=O)NC3CCC(CC3)N)C(=O)CCC4=CC=CC=C4

Isomeric SMILES

C1CN(C(N(C1)S(=O)(=O)CC2=CC=CC=C2)C(=O)NC3CCC(CC3)N)C(=O)CCC4=CC=CC=C4

InChI

InChI=1S/C27H36N4O4S/c28-23-13-15-24(16-14-23)29-26(33)27-30(25(32)17-12-21-8-3-1-4-9-21)18-7-19-31(27)36(34,35)20-22-10-5-2-6-11-22/h1-6,8-11,23-24,27H,7,12-20,28H2,(H,29,33)