N-(2-azanylethyl)-1-(3,4-dichlorophenyl)carbonyl-3-methylsulfonyl-1,3-diazinane-2-carboxamide

Systemtic Name: N-(2-azanylethyl)-1-(3,4-dichlorophenyl)carbonyl-3-methylsulfonyl-1,3-diazinane-2-carboxamide Openeye Name: N-(2-aminoethyl)-1-(3,4-dichlorobenzoyl)-3-methylsulfonyl-hexahydropyrimidine-2-carboxamide CAS Name: N-(2-aminoethyl)-1-[(3,4-dichlorophenyl)-oxomethyl]-3-methylsulfonyl-1,3-diazinane-2-carboxamide IUPAC Name: N-(2-aminoethyl)-1-(3,4-dichlorobenzoyl)-3-methylsulfonyl-1,3-diazinane-2-carboxamide Traditional Name: N-(2-aminoethyl)-1-(3,4-dichlorobenzoyl)-3-mesyl-hexahydropyrimidine-2-carboxamide Formula: C15H20Cl2N4O4S MolecularWeight: 423.3147

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N1CCCN(C1C(=O)NCCN)C(=O)C2=CC(=C(C=C2)Cl)Cl

Isomeric SMILES

CS(=O)(=O)N1CCCN(C1C(=O)NCCN)C(=O)C2=CC(=C(C=C2)Cl)Cl

InChI

InChI=1S/C15H20Cl2N4O4S/c1-26(24,25)21-8-2-7-20(14(21)13(22)19-6-5-18)15(23)10-3-4-11(16)12(17)9-10/h3-4,9,14H,2,5-8,18H2,1H3,(H,19,22)