3-[[4-chloranyl-3-[(4-nitrophenyl)carbamoyl]phenyl]sulfonylamino]benzoic acid

Systemtic Name: 3-[[4-chloranyl-3-[(4-nitrophenyl)carbamoyl]phenyl]sulfonylamino]benzoic acid Openeye Name: 3-[[4-chloro-3-[(4-nitrophenyl)carbamoyl]phenyl]sulfonylamino]benzoic acid CAS Name: 3-[[4-chloro-3-[(4-nitroanilino)-oxomethyl]phenyl]sulfonylamino]benzoic acid IUPAC Name: 3-[[4-chloro-3-[(4-nitrophenyl)carbamoyl]phenyl]sulfonylamino]benzoic acid Traditional Name: 3-[[4-chloro-3-[(4-nitrophenyl)carbamoyl]phenyl]sulfonylamino]benzoic acid Formula: C20H14ClN3O7S MolecularWeight: 475.85906

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)NS(=O)(=O)C2=CC(=C(C=C2)Cl)C(=O)NC3=CC=C(C=C3)[N+](=O)[O-])C(=O)O

Isomeric SMILES

C1=CC(=CC(=C1)NS(=O)(=O)C2=CC(=C(C=C2)Cl)C(=O)NC3=CC=C(C=C3)[N+](=O)[O-])C(=O)O

InChI

InChI=1S/C20H14ClN3O7S/c21-18-9-8-16(32(30,31)23-14-3-1-2-12(10-14)20(26)27)11-17(18)19(25)22-13-4-6-15(7-5-13)24(28)29/h1-11,23H,(H,22,25)(H,26,27)