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

Systemtic Name: 3-[[1-(2,1,3-benzothiadiazol-4-ylsulfonyl)pyrrolidin-2-yl]carbonylamino]-4-methyl-benzoic acid Openeye Name: 3-[[1-(2,1,3-benzothiadiazol-4-ylsulfonyl)pyrrolidine-2-carbonyl]amino]-4-methyl-benzoic acid CAS Name: 3-[[[1-(2,1,3-benzothiadiazol-4-ylsulfonyl)-2-pyrrolidinyl]-oxomethyl]amino]-4-methylbenzoic acid IUPAC Name: 3-[[1-(2,1,3-benzothiadiazol-4-ylsulfonyl)pyrrolidine-2-carbonyl]amino]-4-methylbenzoic acid Traditional Name: 4-methyl-3-[(1-piazthiol-4-ylsulfonylprolyl)amino]benzoic acid Formula: C19H18N4O5S2 MolecularWeight: 446.50002

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)O)NC(=O)C2CCCN2S(=O)(=O)C3=CC=CC4=NSN=C43

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)O)NC(=O)C2CCCN2S(=O)(=O)C3=CC=CC4=NSN=C43

InChI

InChI=1S/C19H18N4O5S2/c1-11-7-8-12(19(25)26)10-14(11)20-18(24)15-5-3-9-23(15)30(27,28)16-6-2-4-13-17(16)22-29-21-13/h2,4,6-8,10,15H,3,5,9H2,1H3,(H,20,24)(H,25,26)