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

Systemtic Name: N-(4-azanylcyclohexyl)-1-(phenylmethyl)sulfonyl-3-pyridin-4-ylcarbonyl-1,3-diazinane-2-carboxamide Openeye Name: N-(4-aminocyclohexyl)-1-benzylsulfonyl-3-(pyridine-4-carbonyl)hexahydropyrimidine-2-carboxamide CAS Name: N-(4-aminocyclohexyl)-1-[oxo(pyridin-4-yl)methyl]-3-(phenylmethyl)sulfonyl-1,3-diazinane-2-carboxamide IUPAC Name: N-(4-aminocyclohexyl)-1-benzylsulfonyl-3-(pyridine-4-carbonyl)-1,3-diazinane-2-carboxamide Traditional Name: N-(4-aminocyclohexyl)-1-benzylsulfonyl-3-isonicotinoyl-hexahydropyrimidine-2-carboxamide Formula: C24H31N5O4S MolecularWeight: 485.59904

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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)C4=CC=NC=C4

Isomeric SMILES

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

InChI

InChI=1S/C24H31N5O4S/c25-20-7-9-21(10-8-20)27-22(30)23-28(24(31)19-11-13-26-14-12-19)15-4-16-29(23)34(32,33)17-18-5-2-1-3-6-18/h1-3,5-6,11-14,20-21,23H,4,7-10,15-17,25H2,(H,27,30)