3-[[1-(2,1,3-benzothiadiazol-4-ylsulfonyl)pyrrolidin-2-yl]carbonylamino]-4-chloranyl-benzoic acid

Systemtic Name: 3-[[1-(2,1,3-benzothiadiazol-4-ylsulfonyl)pyrrolidin-2-yl]carbonylamino]-4-chloranyl-benzoic acid Openeye Name: 3-[[1-(2,1,3-benzothiadiazol-4-ylsulfonyl)pyrrolidine-2-carbonyl]amino]-4-chloro-benzoic acid CAS Name: 3-[[[1-(2,1,3-benzothiadiazol-4-ylsulfonyl)-2-pyrrolidinyl]-oxomethyl]amino]-4-chlorobenzoic acid IUPAC Name: 3-[[1-(2,1,3-benzothiadiazol-4-ylsulfonyl)pyrrolidine-2-carbonyl]amino]-4-chlorobenzoic acid Traditional Name: 4-chloro-3-[(1-piazthiol-4-ylsulfonylprolyl)amino]benzoic acid Formula: C18H15ClN4O5S2 MolecularWeight: 466.9185

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)S(=O)(=O)C2=CC=CC3=NSN=C32)C(=O)NC4=C(C=CC(=C4)C(=O)O)Cl

Isomeric SMILES

C1CC(N(C1)S(=O)(=O)C2=CC=CC3=NSN=C32)C(=O)NC4=C(C=CC(=C4)C(=O)O)Cl

InChI

InChI=1S/C18H15ClN4O5S2/c19-11-7-6-10(18(25)26)9-13(11)20-17(24)14-4-2-8-23(14)30(27,28)15-5-1-3-12-16(15)22-29-21-12/h1,3,5-7,9,14H,2,4,8H2,(H,20,24)(H,25,26)