2-azanyl-4-(4-methoxyphenyl)sulfonyl-5-methyl-3-(3-nitrophenyl)-6-(pyridin-3-ylmethyl)benzoic acid

Systemtic Name: 2-azanyl-4-(4-methoxyphenyl)sulfonyl-5-methyl-3-(3-nitrophenyl)-6-(pyridin-3-ylmethyl)benzoic acid Openeye Name: 2-amino-4-(4-methoxyphenyl)sulfonyl-5-methyl-3-(3-nitrophenyl)-6-(3-pyridylmethyl)benzoic acid CAS Name: 2-amino-4-(4-methoxyphenyl)sulfonyl-5-methyl-3-(3-nitrophenyl)-6-(3-pyridinylmethyl)benzoic acid IUPAC Name: 2-amino-4-(4-methoxyphenyl)sulfonyl-5-methyl-3-(3-nitrophenyl)-6-(pyridin-3-ylmethyl)benzoic acid Traditional Name: 2-amino-4-(4-methoxyphenyl)sulfonyl-5-methyl-3-(3-nitrophenyl)-6-(3-pyridylmethyl)benzoic acid Formula: C27H23N3O7S MolecularWeight: 533.55242

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(C(=C1CC2=CN=CC=C2)C(=O)O)N)C3=CC(=CC=C3)[N+](=O)[O-])S(=O)(=O)C4=CC=C(C=C4)OC

Isomeric SMILES

CC1=C(C(=C(C(=C1CC2=CN=CC=C2)C(=O)O)N)C3=CC(=CC=C3)[N+](=O)[O-])S(=O)(=O)C4=CC=C(C=C4)OC

InChI

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