[4-[methyl-(4-methylphenyl)sulfonyl-amino]phenyl] 3-nitro-4-piperidin-1-yl-benzoate

Systemtic Name: [4-[methyl-(4-methylphenyl)sulfonyl-amino]phenyl] 3-nitro-4-piperidin-1-yl-benzoate Openeye Name: [4-[methyl(p-tolylsulfonyl)amino]phenyl] 3-nitro-4-(1-piperidyl)benzoate CAS Name: 3-nitro-4-(1-piperidinyl)benzoic acid [4-[methyl-(4-methylphenyl)sulfonylamino]phenyl] ester IUPAC Name: [4-[methyl-(4-methylphenyl)sulfonylamino]phenyl] 3-nitro-4-piperidin-1-ylbenzoate Traditional Name: 3-nitro-4-piperidino-benzoic acid [4-[methyl(tosyl)amino]phenyl] ester Formula: C26H27N3O6S MolecularWeight: 509.57408

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N(C)C2=CC=C(C=C2)OC(=O)C3=CC(=C(C=C3)N4CCCCC4)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N(C)C2=CC=C(C=C2)OC(=O)C3=CC(=C(C=C3)N4CCCCC4)[N+](=O)[O-]

InChI

InChI=1S/C26H27N3O6S/c1-19-6-13-23(14-7-19)36(33,34)27(2)21-9-11-22(12-10-21)35-26(30)20-8-15-24(25(18-20)29(31)32)28-16-4-3-5-17-28/h6-15,18H,3-5,16-17H2,1-2H3