(phenylmethyl) (2R,5S)-2-(chloromethyl)-4-(2-nitrophenyl)sulfonyl-5-propan-2-yl-piperazine-1-carboxylate

Systemtic Name: (phenylmethyl) (2R,5S)-2-(chloromethyl)-4-(2-nitrophenyl)sulfonyl-5-propan-2-yl-piperazine-1-carboxylate Openeye Name: benzyl (2R,5S)-2-(chloromethyl)-5-isopropyl-4-(2-nitrophenyl)sulfonyl-piperazine-1-carboxylate CAS Name: (2R,5S)-2-(chloromethyl)-4-(2-nitrophenyl)sulfonyl-5-propan-2-yl-1-piperazinecarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl (2R,5S)-2-(chloromethyl)-4-(2-nitrophenyl)sulfonyl-5-propan-2-ylpiperazine-1-carboxylate Traditional Name: (2R,5S)-2-(chloromethyl)-5-isopropyl-4-(2-nitrophenyl)sulfonyl-piperazine-1-carboxylic acid benzyl ester Formula: C22H26ClN3O6S MolecularWeight: 495.97634

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1CN(C(CN1S(=O)(=O)C2=CC=CC=C2[N+](=O)[O-])CCl)C(=O)OCC3=CC=CC=C3

Isomeric SMILES

CC(C)[C@H]1CN([C@H](CN1S(=O)(=O)C2=CC=CC=C2[N+](=O)[O-])CCl)C(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C22H26ClN3O6S/c1-16(2)20-14-24(22(27)32-15-17-8-4-3-5-9-17)18(12-23)13-25(20)33(30,31)21-11-7-6-10-19(21)26(28)29/h3-11,16,18,20H,12-15H2,1-2H3/t18-,20+/m0/s1