4-[2-[(4-pyrrolidin-1-ylsulfonylphenyl)carbonylamino]-1,3-thiazol-4-yl]benzoic acid

Systemtic Name: 4-[2-[(4-pyrrolidin-1-ylsulfonylphenyl)carbonylamino]-1,3-thiazol-4-yl]benzoic acid Openeye Name: 4-[2-[(4-pyrrolidin-1-ylsulfonylbenzoyl)amino]thiazol-4-yl]benzoic acid CAS Name: 4-[2-[[oxo-[4-(1-pyrrolidinylsulfonyl)phenyl]methyl]amino]-4-thiazolyl]benzoic acid IUPAC Name: 4-[2-[(4-pyrrolidin-1-ylsulfonylbenzoyl)amino]-1,3-thiazol-4-yl]benzoic acid Traditional Name: 4-[2-[(4-pyrrolidinosulfonylbenzoyl)amino]thiazol-4-yl]benzoic acid Formula: C21H19N3O5S2 MolecularWeight: 457.52266

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)S(=O)(=O)C2=CC=C(C=C2)C(=O)NC3=NC(=CS3)C4=CC=C(C=C4)C(=O)O

Isomeric SMILES

C1CCN(C1)S(=O)(=O)C2=CC=C(C=C2)C(=O)NC3=NC(=CS3)C4=CC=C(C=C4)C(=O)O

InChI

InChI=1S/C21H19N3O5S2/c25-19(15-7-9-17(10-8-15)31(28,29)24-11-1-2-12-24)23-21-22-18(13-30-21)14-3-5-16(6-4-14)20(26)27/h3-10,13H,1-2,11-12H2,(H,26,27)(H,22,23,25)