2-[[5-(4-nitrophenyl)sulfonyl-1,3-thiazol-2-yl]carbamoyl]benzoic acid

Systemtic Name: 2-[[5-(4-nitrophenyl)sulfonyl-1,3-thiazol-2-yl]carbamoyl]benzoic acid Openeye Name: 2-[[5-(4-nitrophenyl)sulfonylthiazol-2-yl]carbamoyl]benzoic acid CAS Name: 2-[[[5-(4-nitrophenyl)sulfonyl-2-thiazolyl]amino]-oxomethyl]benzoic acid IUPAC Name: 2-[[5-(4-nitrophenyl)sulfonyl-1,3-thiazol-2-yl]carbamoyl]benzoic acid Traditional Name: 2-[(5-nosylthiazol-2-yl)carbamoyl]benzoic acid Formula: C17H11N3O7S2 MolecularWeight: 433.41514

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C(=O)NC2=NC=C(S2)S(=O)(=O)C3=CC=C(C=C3)[N+](=O)[O-])C(=O)O

Isomeric SMILES

C1=CC=C(C(=C1)C(=O)NC2=NC=C(S2)S(=O)(=O)C3=CC=C(C=C3)[N+](=O)[O-])C(=O)O

InChI

InChI=1S/C17H11N3O7S2/c21-15(12-3-1-2-4-13(12)16(22)23)19-17-18-9-14(28-17)29(26,27)11-7-5-10(6-8-11)20(24)25/h1-9H,(H,22,23)(H,18,19,21)