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

Systemtic Name: N-(4-azanylcyclohexyl)-1-methylsulfonyl-3-thiophen-2-ylsulfonyl-1,3-diazinane-2-carboxamide Openeye Name: N-(4-aminocyclohexyl)-1-methylsulfonyl-3-(2-thienylsulfonyl)hexahydropyrimidine-2-carboxamide CAS Name: N-(4-aminocyclohexyl)-1-methylsulfonyl-3-thiophen-2-ylsulfonyl-1,3-diazinane-2-carboxamide IUPAC Name: N-(4-aminocyclohexyl)-1-methylsulfonyl-3-thiophen-2-ylsulfonyl-1,3-diazinane-2-carboxamide Traditional Name: N-(4-aminocyclohexyl)-1-mesyl-3-(2-thienylsulfonyl)hexahydropyrimidine-2-carboxamide Formula: C16H26N4O5S3 MolecularWeight: 450.59644

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N1CCCN(C1C(=O)NC2CCC(CC2)N)S(=O)(=O)C3=CC=CS3

Isomeric SMILES

CS(=O)(=O)N1CCCN(C1C(=O)NC2CCC(CC2)N)S(=O)(=O)C3=CC=CS3

InChI

InChI=1S/C16H26N4O5S3/c1-27(22,23)19-9-3-10-20(28(24,25)14-4-2-11-26-14)16(19)15(21)18-13-7-5-12(17)6-8-13/h2,4,11-13,16H,3,5-10,17H2,1H3,(H,18,21)