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

Systemtic Name: 4-methyl-2-[[5-(4-nitrophenyl)sulfonyl-1,3-thiazol-2-yl]carbamoyl]benzoic acid Openeye Name: 4-methyl-2-[[5-(4-nitrophenyl)sulfonylthiazol-2-yl]carbamoyl]benzoic acid CAS Name: 4-methyl-2-[[[5-(4-nitrophenyl)sulfonyl-2-thiazolyl]amino]-oxomethyl]benzoic acid IUPAC Name: 4-methyl-2-[[5-(4-nitrophenyl)sulfonyl-1,3-thiazol-2-yl]carbamoyl]benzoic acid Traditional Name: 4-methyl-2-[(5-nosylthiazol-2-yl)carbamoyl]benzoic acid Formula: C18H13N3O7S2 MolecularWeight: 447.44172

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C(=O)O)C(=O)NC2=NC=C(S2)S(=O)(=O)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=C(C=C1)C(=O)O)C(=O)NC2=NC=C(S2)S(=O)(=O)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C18H13N3O7S2/c1-10-2-7-13(17(23)24)14(8-10)16(22)20-18-19-9-15(29-18)30(27,28)12-5-3-11(4-6-12)21(25)26/h2-9H,1H3,(H,23,24)(H,19,20,22)