N-(4-azanylcyclohexyl)-1-pyridin-4-ylcarbonyl-3-thiophen-2-ylsulfonyl-1,3-diazinane-2-carboxamide

Systemtic Name: N-(4-azanylcyclohexyl)-1-pyridin-4-ylcarbonyl-3-thiophen-2-ylsulfonyl-1,3-diazinane-2-carboxamide Openeye Name: N-(4-aminocyclohexyl)-1-(pyridine-4-carbonyl)-3-(2-thienylsulfonyl)hexahydropyrimidine-2-carboxamide CAS Name: N-(4-aminocyclohexyl)-1-[oxo(pyridin-4-yl)methyl]-3-thiophen-2-ylsulfonyl-1,3-diazinane-2-carboxamide IUPAC Name: N-(4-aminocyclohexyl)-1-(pyridine-4-carbonyl)-3-thiophen-2-ylsulfonyl-1,3-diazinane-2-carboxamide Traditional Name: N-(4-aminocyclohexyl)-1-isonicotinoyl-3-(2-thienylsulfonyl)hexahydropyrimidine-2-carboxamide Formula: C21H27N5O4S2 MolecularWeight: 477.60018

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C(N(C1)S(=O)(=O)C2=CC=CS2)C(=O)NC3CCC(CC3)N)C(=O)C4=CC=NC=C4

Isomeric SMILES

C1CN(C(N(C1)S(=O)(=O)C2=CC=CS2)C(=O)NC3CCC(CC3)N)C(=O)C4=CC=NC=C4

InChI

InChI=1S/C21H27N5O4S2/c22-16-4-6-17(7-5-16)24-19(27)20-25(21(28)15-8-10-23-11-9-15)12-2-13-26(20)32(29,30)18-3-1-14-31-18/h1,3,8-11,14,16-17,20H,2,4-7,12-13,22H2,(H,24,27)