N-(4-azanylcyclohexyl)-1-(6-chloranylpyridin-3-yl)carbonyl-3-thiophen-2-ylsulfonyl-1,3-diazinane-2-carboxamide

Systemtic Name: N-(4-azanylcyclohexyl)-1-(6-chloranylpyridin-3-yl)carbonyl-3-thiophen-2-ylsulfonyl-1,3-diazinane-2-carboxamide Openeye Name: N-(4-aminocyclohexyl)-1-(6-chloropyridine-3-carbonyl)-3-(2-thienylsulfonyl)hexahydropyrimidine-2-carboxamide CAS Name: N-(4-aminocyclohexyl)-1-[(6-chloro-3-pyridinyl)-oxomethyl]-3-thiophen-2-ylsulfonyl-1,3-diazinane-2-carboxamide IUPAC Name: N-(4-aminocyclohexyl)-1-(6-chloropyridine-3-carbonyl)-3-thiophen-2-ylsulfonyl-1,3-diazinane-2-carboxamide Traditional Name: N-(4-aminocyclohexyl)-1-(6-chloronicotinoyl)-3-(2-thienylsulfonyl)hexahydropyrimidine-2-carboxamide Formula: C21H26ClN5O4S2 MolecularWeight: 512.04524

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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=CN=C(C=C4)Cl

Isomeric SMILES

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

InChI

InChI=1S/C21H26ClN5O4S2/c22-17-9-4-14(13-24-17)21(29)26-10-2-11-27(33(30,31)18-3-1-12-32-18)20(26)19(28)25-16-7-5-15(23)6-8-16/h1,3-4,9,12-13,15-16,20H,2,5-8,10-11,23H2,(H,25,28)