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

Systemtic Name: (phenylmethyl) 2-(2-azanylethylcarbamoyl)-3-(3,4-dichlorophenyl)sulfonyl-1,3-diazinane-1-carboxylate Openeye Name: benzyl 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 (phenylmethyl) ester IUPAC Name: benzyl 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 benzyl ester Formula: C21H24Cl2N4O5S MolecularWeight: 515.41006

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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)OCC3=CC=CC=C3

Isomeric SMILES

C1CN(C(N(C1)S(=O)(=O)C2=CC(=C(C=C2)Cl)Cl)C(=O)NCCN)C(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C21H24Cl2N4O5S/c22-17-8-7-16(13-18(17)23)33(30,31)27-12-4-11-26(20(27)19(28)25-10-9-24)21(29)32-14-15-5-2-1-3-6-15/h1-3,5-8,13,20H,4,9-12,14,24H2,(H,25,28)