methyl (2S)-4-(phenylcarbamoyl)-1-(phenylsulfonyl)piperazine-2-carboxylate

Systemtic Name: methyl (2S)-4-(phenylcarbamoyl)-1-(phenylsulfonyl)piperazine-2-carboxylate Openeye Name: methyl (2S)-1-(benzenesulfonyl)-4-(phenylcarbamoyl)piperazine-2-carboxylate CAS Name: (2S)-4-[anilino(oxo)methyl]-1-(benzenesulfonyl)-2-piperazinecarboxylic acid methyl ester IUPAC Name: methyl (2S)-1-(benzenesulfonyl)-4-(phenylcarbamoyl)piperazine-2-carboxylate Traditional Name: (2S)-1-besyl-4-(phenylcarbamoyl)piperazine-2-carboxylic acid methyl ester Formula: C19H21N3O5S MolecularWeight: 403.45214

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CN(CCN1S(=O)(=O)C2=CC=CC=C2)C(=O)NC3=CC=CC=C3

Isomeric SMILES

COC(=O)[C@@H]1CN(CCN1S(=O)(=O)C2=CC=CC=C2)C(=O)NC3=CC=CC=C3

InChI

InChI=1S/C19H21N3O5S/c1-27-18(23)17-14-21(19(24)20-15-8-4-2-5-9-15)12-13-22(17)28(25,26)16-10-6-3-7-11-16/h2-11,17H,12-14H2,1H3,(H,20,24)/t17-/m0/s1