methyl (2S)-1-(phenylsulfonyl)-4-(propan-2-ylcarbamoyl)piperazine-2-carboxylate

Systemtic Name: methyl (2S)-1-(phenylsulfonyl)-4-(propan-2-ylcarbamoyl)piperazine-2-carboxylate Openeye Name: methyl (2S)-1-(benzenesulfonyl)-4-(isopropylcarbamoyl)piperazine-2-carboxylate CAS Name: (2S)-1-(benzenesulfonyl)-4-[oxo-(propan-2-ylamino)methyl]-2-piperazinecarboxylic acid methyl ester IUPAC Name: methyl (2S)-1-(benzenesulfonyl)-4-(propan-2-ylcarbamoyl)piperazine-2-carboxylate Traditional Name: (2S)-1-besyl-4-(isopropylcarbamoyl)piperazine-2-carboxylic acid methyl ester Formula: C16H23N3O5S MolecularWeight: 369.43592

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC(=O)N1CCN(C(C1)C(=O)OC)S(=O)(=O)C2=CC=CC=C2

Isomeric SMILES

CC(C)NC(=O)N1CCN([C@@H](C1)C(=O)OC)S(=O)(=O)C2=CC=CC=C2

InChI

InChI=1S/C16H23N3O5S/c1-12(2)17-16(21)18-9-10-19(14(11-18)15(20)24-3)25(22,23)13-7-5-4-6-8-13/h4-8,12,14H,9-11H2,1-3H3,(H,17,21)/t14-/m0/s1