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

Systemtic Name: phenyl 2-(2-azanylethylcarbamoyl)-3-(phenylmethyl)sulfonyl-1,3-diazinane-1-carboxylate Openeye Name: phenyl 2-(2-aminoethylcarbamoyl)-3-benzylsulfonyl-hexahydropyrimidine-1-carboxylate CAS Name: 2-[(2-aminoethylamino)-oxomethyl]-3-(phenylmethyl)sulfonyl-1,3-diazinane-1-carboxylic acid phenyl ester IUPAC Name: phenyl 2-(2-aminoethylcarbamoyl)-3-benzylsulfonyl-1,3-diazinane-1-carboxylate Traditional Name: 2-(2-aminoethylcarbamoyl)-3-benzylsulfonyl-hexahydropyrimidine-1-carboxylic acid phenyl ester Formula: C21H26N4O5S MolecularWeight: 446.51994

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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)OC3=CC=CC=C3

Isomeric SMILES

C1CN(C(N(C1)S(=O)(=O)CC2=CC=CC=C2)C(=O)NCCN)C(=O)OC3=CC=CC=C3

InChI

InChI=1S/C21H26N4O5S/c22-12-13-23-19(26)20-24(21(27)30-18-10-5-2-6-11-18)14-7-15-25(20)31(28,29)16-17-8-3-1-4-9-17/h1-6,8-11,20H,7,12-16,22H2,(H,23,26)