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

Systemtic Name: N-(4-azanylcyclohexyl)-1-(2,4-dichlorophenyl)carbonyl-3-(phenylmethyl)sulfonyl-1,3-diazinane-2-carboxamide Openeye Name: N-(4-aminocyclohexyl)-1-benzylsulfonyl-3-(2,4-dichlorobenzoyl)hexahydropyrimidine-2-carboxamide CAS Name: N-(4-aminocyclohexyl)-1-[(2,4-dichlorophenyl)-oxomethyl]-3-(phenylmethyl)sulfonyl-1,3-diazinane-2-carboxamide IUPAC Name: N-(4-aminocyclohexyl)-1-benzylsulfonyl-3-(2,4-dichlorobenzoyl)-1,3-diazinane-2-carboxamide Traditional Name: N-(4-aminocyclohexyl)-1-benzylsulfonyl-3-(2,4-dichlorobenzoyl)hexahydropyrimidine-2-carboxamide Formula: C25H30Cl2N4O4S MolecularWeight: 553.5011

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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(C=C(C=C4)Cl)Cl

Isomeric SMILES

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

InChI

InChI=1S/C25H30Cl2N4O4S/c26-18-7-12-21(22(27)15-18)25(33)30-13-4-14-31(36(34,35)16-17-5-2-1-3-6-17)24(30)23(32)29-20-10-8-19(28)9-11-20/h1-3,5-7,12,15,19-20,24H,4,8-11,13-14,16,28H2,(H,29,32)