N-(4-azanylcyclohexyl)-1-(2-chloranylpyridin-3-yl)carbonyl-3-(phenylmethyl)sulfonyl-1,3-diazinane-2-carboxamide

Systemtic Name: N-(4-azanylcyclohexyl)-1-(2-chloranylpyridin-3-yl)carbonyl-3-(phenylmethyl)sulfonyl-1,3-diazinane-2-carboxamide Openeye Name: N-(4-aminocyclohexyl)-1-benzylsulfonyl-3-(2-chloropyridine-3-carbonyl)hexahydropyrimidine-2-carboxamide CAS Name: N-(4-aminocyclohexyl)-1-[(2-chloro-3-pyridinyl)-oxomethyl]-3-(phenylmethyl)sulfonyl-1,3-diazinane-2-carboxamide IUPAC Name: N-(4-aminocyclohexyl)-1-benzylsulfonyl-3-(2-chloropyridine-3-carbonyl)-1,3-diazinane-2-carboxamide Traditional Name: N-(4-aminocyclohexyl)-1-benzylsulfonyl-3-(2-chloronicotinoyl)hexahydropyrimidine-2-carboxamide Formula: C24H30ClN5O4S MolecularWeight: 520.0441

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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=C(N=CC=C4)Cl

Isomeric SMILES

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

InChI

InChI=1S/C24H30ClN5O4S/c25-21-20(8-4-13-27-21)24(32)29-14-5-15-30(35(33,34)16-17-6-2-1-3-7-17)23(29)22(31)28-19-11-9-18(26)10-12-19/h1-4,6-8,13,18-19,23H,5,9-12,14-16,26H2,(H,28,31)