3-[[2-methyl-5-[(4-nitrophenyl)carbamoyl]phenyl]sulfonylamino]benzoic acid

Systemtic Name: 3-[[2-methyl-5-[(4-nitrophenyl)carbamoyl]phenyl]sulfonylamino]benzoic acid Openeye Name: 3-[[2-methyl-5-[(4-nitrophenyl)carbamoyl]phenyl]sulfonylamino]benzoic acid CAS Name: 3-[[2-methyl-5-[(4-nitroanilino)-oxomethyl]phenyl]sulfonylamino]benzoic acid IUPAC Name: 3-[[2-methyl-5-[(4-nitrophenyl)carbamoyl]phenyl]sulfonylamino]benzoic acid Traditional Name: 3-[[2-methyl-5-[(4-nitrophenyl)carbamoyl]phenyl]sulfonylamino]benzoic acid Formula: C21H17N3O7S MolecularWeight: 455.44058

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)NC2=CC=C(C=C2)[N+](=O)[O-])S(=O)(=O)NC3=CC=CC(=C3)C(=O)O

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)NC2=CC=C(C=C2)[N+](=O)[O-])S(=O)(=O)NC3=CC=CC(=C3)C(=O)O

InChI

InChI=1S/C21H17N3O7S/c1-13-5-6-14(20(25)22-16-7-9-18(10-8-16)24(28)29)12-19(13)32(30,31)23-17-4-2-3-15(11-17)21(26)27/h2-12,23H,1H3,(H,22,25)(H,26,27)