2-[(4-methoxyphenyl)sulfonyl-(pyridin-3-ylmethyl)amino]-3-methyl-5-(3-nitrophenyl)benzoic acid

Systemtic Name: 2-[(4-methoxyphenyl)sulfonyl-(pyridin-3-ylmethyl)amino]-3-methyl-5-(3-nitrophenyl)benzoic acid Openeye Name: 2-[(4-methoxyphenyl)sulfonyl-(3-pyridylmethyl)amino]-3-methyl-5-(3-nitrophenyl)benzoic acid CAS Name: 2-[(4-methoxyphenyl)sulfonyl-(3-pyridinylmethyl)amino]-3-methyl-5-(3-nitrophenyl)benzoic acid IUPAC Name: 2-[(4-methoxyphenyl)sulfonyl-(pyridin-3-ylmethyl)amino]-3-methyl-5-(3-nitrophenyl)benzoic acid Traditional Name: 2-[(4-methoxyphenyl)sulfonyl-(3-pyridylmethyl)amino]-3-methyl-5-(3-nitrophenyl)benzoic acid Formula: C27H23N3O7S MolecularWeight: 533.55242

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1N(CC2=CN=CC=C2)S(=O)(=O)C3=CC=C(C=C3)OC)C(=O)O)C4=CC(=CC=C4)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=CC(=C1N(CC2=CN=CC=C2)S(=O)(=O)C3=CC=C(C=C3)OC)C(=O)O)C4=CC(=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C27H23N3O7S/c1-18-13-21(20-6-3-7-22(14-20)30(33)34)15-25(27(31)32)26(18)29(17-19-5-4-12-28-16-19)38(35,36)24-10-8-23(37-2)9-11-24/h3-16H,17H2,1-2H3,(H,31,32)