(phenylmethyl) 4-[1-(4-methylphenyl)sulfonyl-5-nitro-indazol-3-yl]piperazine-1-carboxylate

Systemtic Name: (phenylmethyl) 4-[1-(4-methylphenyl)sulfonyl-5-nitro-indazol-3-yl]piperazine-1-carboxylate Openeye Name: benzyl 4-[5-nitro-1-(p-tolylsulfonyl)indazol-3-yl]piperazine-1-carboxylate CAS Name: 4-[1-(4-methylphenyl)sulfonyl-5-nitro-3-indazolyl]-1-piperazinecarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 4-[1-(4-methylphenyl)sulfonyl-5-nitroindazol-3-yl]piperazine-1-carboxylate Traditional Name: 4-(5-nitro-1-tosyl-indazol-3-yl)piperazine-1-carboxylic acid benzyl ester Formula: C26H25N5O6S MolecularWeight: 535.5716

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2C3=C(C=C(C=C3)[N+](=O)[O-])C(=N2)N4CCN(CC4)C(=O)OCC5=CC=CC=C5

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2C3=C(C=C(C=C3)[N+](=O)[O-])C(=N2)N4CCN(CC4)C(=O)OCC5=CC=CC=C5

InChI

InChI=1S/C26H25N5O6S/c1-19-7-10-22(11-8-19)38(35,36)30-24-12-9-21(31(33)34)17-23(24)25(27-30)28-13-15-29(16-14-28)26(32)37-18-20-5-3-2-4-6-20/h2-12,17H,13-16,18H2,1H3