4-methyl-3-[(2-nitro-4-piperidin-1-ylsulfonyl-phenyl)amino]benzoic acid

Systemtic Name: 4-methyl-3-[(2-nitro-4-piperidin-1-ylsulfonyl-phenyl)amino]benzoic acid Openeye Name: 4-methyl-3-[2-nitro-4-(1-piperidylsulfonyl)anilino]benzoic acid CAS Name: 4-methyl-3-[2-nitro-4-(1-piperidinylsulfonyl)anilino]benzoic acid IUPAC Name: 4-methyl-3-(2-nitro-4-piperidin-1-ylsulfonylanilino)benzoic acid Traditional Name: 4-methyl-3-(2-nitro-4-piperidinosulfonyl-anilino)benzoic acid Formula: C19H21N3O6S MolecularWeight: 419.45154

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)O)NC2=C(C=C(C=C2)S(=O)(=O)N3CCCCC3)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)O)NC2=C(C=C(C=C2)S(=O)(=O)N3CCCCC3)[N+](=O)[O-]

InChI

InChI=1S/C19H21N3O6S/c1-13-5-6-14(19(23)24)11-17(13)20-16-8-7-15(12-18(16)22(25)26)29(27,28)21-9-3-2-4-10-21/h5-8,11-12,20H,2-4,9-10H2,1H3,(H,23,24)