phenyl 2-(2-azanylethylcarbamoyl)-3-(3,4-dichlorophenyl)sulfonyl-1,3-diazinane-1-carboxylate

Systemtic Name: phenyl 2-(2-azanylethylcarbamoyl)-3-(3,4-dichlorophenyl)sulfonyl-1,3-diazinane-1-carboxylate Openeye Name: phenyl 2-(2-aminoethylcarbamoyl)-3-(3,4-dichlorophenyl)sulfonyl-hexahydropyrimidine-1-carboxylate CAS Name: 2-[(2-aminoethylamino)-oxomethyl]-3-(3,4-dichlorophenyl)sulfonyl-1,3-diazinane-1-carboxylic acid phenyl ester IUPAC Name: phenyl 2-(2-aminoethylcarbamoyl)-3-(3,4-dichlorophenyl)sulfonyl-1,3-diazinane-1-carboxylate Traditional Name: 2-(2-aminoethylcarbamoyl)-3-(3,4-dichlorophenyl)sulfonyl-hexahydropyrimidine-1-carboxylic acid phenyl ester Formula: C20H22Cl2N4O5S MolecularWeight: 501.38348

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C(N(C1)S(=O)(=O)C2=CC(=C(C=C2)Cl)Cl)C(=O)NCCN)C(=O)OC3=CC=CC=C3

Isomeric SMILES

C1CN(C(N(C1)S(=O)(=O)C2=CC(=C(C=C2)Cl)Cl)C(=O)NCCN)C(=O)OC3=CC=CC=C3

InChI

InChI=1S/C20H22Cl2N4O5S/c21-16-8-7-15(13-17(16)22)32(29,30)26-12-4-11-25(19(26)18(27)24-10-9-23)20(28)31-14-5-2-1-3-6-14/h1-3,5-8,13,19H,4,9-12,23H2,(H,24,27)