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

Systemtic Name: (phenylmethyl) 2-(2-azanylethylcarbamoyl)-3-(phenylmethyl)sulfonyl-1,3-diazinane-1-carboxylate Openeye Name: benzyl 2-(2-aminoethylcarbamoyl)-3-benzylsulfonyl-hexahydropyrimidine-1-carboxylate CAS Name: 2-[(2-aminoethylamino)-oxomethyl]-3-(phenylmethyl)sulfonyl-1,3-diazinane-1-carboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 2-(2-aminoethylcarbamoyl)-3-benzylsulfonyl-1,3-diazinane-1-carboxylate Traditional Name: 2-(2-aminoethylcarbamoyl)-3-benzylsulfonyl-hexahydropyrimidine-1-carboxylic acid benzyl ester Formula: C22H28N4O5S MolecularWeight: 460.54652

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C(N(C1)S(=O)(=O)CC2=CC=CC=C2)C(=O)NCCN)C(=O)OCC3=CC=CC=C3

Isomeric SMILES

C1CN(C(N(C1)S(=O)(=O)CC2=CC=CC=C2)C(=O)NCCN)C(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C22H28N4O5S/c23-12-13-24-20(27)21-25(22(28)31-16-18-8-3-1-4-9-18)14-7-15-26(21)32(29,30)17-19-10-5-2-6-11-19/h1-6,8-11,21H,7,12-17,23H2,(H,24,27)