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

Systemtic Name: (phenylmethyl) 4-[5-methoxy-1-(4-methylphenyl)sulfonyl-indazol-3-yl]piperazine-1-carboxylate Openeye Name: benzyl 4-[5-methoxy-1-(p-tolylsulfonyl)indazol-3-yl]piperazine-1-carboxylate CAS Name: 4-[5-methoxy-1-(4-methylphenyl)sulfonyl-3-indazolyl]-1-piperazinecarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 4-[5-methoxy-1-(4-methylphenyl)sulfonylindazol-3-yl]piperazine-1-carboxylate Traditional Name: 4-(5-methoxy-1-tosyl-indazol-3-yl)piperazine-1-carboxylic acid benzyl ester Formula: C27H28N4O5S MolecularWeight: 520.60002

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2C3=C(C=C(C=C3)OC)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)OC)C(=N2)N4CCN(CC4)C(=O)OCC5=CC=CC=C5

InChI

InChI=1S/C27H28N4O5S/c1-20-8-11-23(12-9-20)37(33,34)31-25-13-10-22(35-2)18-24(25)26(28-31)29-14-16-30(17-15-29)27(32)36-19-21-6-4-3-5-7-21/h3-13,18H,14-17,19H2,1-2H3