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

Systemtic Name: [4-[methyl(phenylsulfonyl)amino]phenyl] 3-nitro-4-piperidin-1-yl-benzoate Openeye Name: [4-[benzenesulfonyl(methyl)amino]phenyl] 3-nitro-4-(1-piperidyl)benzoate CAS Name: 3-nitro-4-(1-piperidinyl)benzoic acid [4-[benzenesulfonyl(methyl)amino]phenyl] ester IUPAC Name: [4-[benzenesulfonyl(methyl)amino]phenyl] 3-nitro-4-piperidin-1-ylbenzoate Traditional Name: 3-nitro-4-piperidino-benzoic acid [4-[besyl(methyl)amino]phenyl] ester Formula: C25H25N3O6S MolecularWeight: 495.5475

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Descriptors Computed from Structure

Canonical SMILES:

CN(C1=CC=C(C=C1)OC(=O)C2=CC(=C(C=C2)N3CCCCC3)[N+](=O)[O-])S(=O)(=O)C4=CC=CC=C4

Isomeric SMILES

CN(C1=CC=C(C=C1)OC(=O)C2=CC(=C(C=C2)N3CCCCC3)[N+](=O)[O-])S(=O)(=O)C4=CC=CC=C4

InChI

InChI=1S/C25H25N3O6S/c1-26(35(32,33)22-8-4-2-5-9-22)20-11-13-21(14-12-20)34-25(29)19-10-15-23(24(18-19)28(30)31)27-16-6-3-7-17-27/h2,4-5,8-15,18H,3,6-7,16-17H2,1H3