4-[[4-azanyl-5-(2-methylsulfonylphenyl)carbonyl-1,3-thiazol-2-yl]amino]benzoic acid

Systemtic Name: 4-[[4-azanyl-5-(2-methylsulfonylphenyl)carbonyl-1,3-thiazol-2-yl]amino]benzoic acid Openeye Name: 4-[[4-amino-5-(2-methylsulfonylbenzoyl)thiazol-2-yl]amino]benzoic acid CAS Name: 4-[[4-amino-5-[(2-methylsulfonylphenyl)-oxomethyl]-2-thiazolyl]amino]benzoic acid IUPAC Name: 4-[[4-amino-5-(2-methylsulfonylbenzoyl)-1,3-thiazol-2-yl]amino]benzoic acid Traditional Name: 4-[[4-amino-5-(2-mesylbenzoyl)thiazol-2-yl]amino]benzoic acid Formula: C18H15N3O5S2 MolecularWeight: 417.4588

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=CC=C1C(=O)C2=C(N=C(S2)NC3=CC=C(C=C3)C(=O)O)N

Isomeric SMILES

CS(=O)(=O)C1=CC=CC=C1C(=O)C2=C(N=C(S2)NC3=CC=C(C=C3)C(=O)O)N

InChI

InChI=1S/C18H15N3O5S2/c1-28(25,26)13-5-3-2-4-12(13)14(22)15-16(19)21-18(27-15)20-11-8-6-10(7-9-11)17(23)24/h2-9H,19H2,1H3,(H,20,21)(H,23,24)