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

Systemtic Name: 3-[[1-(2,1,3-benzothiadiazol-4-ylsulfonyl)piperidin-3-yl]carbonylamino]-4-methyl-benzoic acid Openeye Name: 3-[[1-(2,1,3-benzothiadiazol-4-ylsulfonyl)piperidine-3-carbonyl]amino]-4-methyl-benzoic acid CAS Name: 3-[[[1-(2,1,3-benzothiadiazol-4-ylsulfonyl)-3-piperidinyl]-oxomethyl]amino]-4-methylbenzoic acid IUPAC Name: 3-[[1-(2,1,3-benzothiadiazol-4-ylsulfonyl)piperidine-3-carbonyl]amino]-4-methylbenzoic acid Traditional Name: 4-methyl-3-[(1-piazthiol-4-ylsulfonylnipecotoyl)amino]benzoic acid Formula: C20H20N4O5S2 MolecularWeight: 460.5266

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)O)NC(=O)C2CCCN(C2)S(=O)(=O)C3=CC=CC4=NSN=C43

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)O)NC(=O)C2CCCN(C2)S(=O)(=O)C3=CC=CC4=NSN=C43

InChI

InChI=1S/C20H20N4O5S2/c1-12-7-8-13(20(26)27)10-16(12)21-19(25)14-4-3-9-24(11-14)31(28,29)17-6-2-5-15-18(17)23-30-22-15/h2,5-8,10,14H,3-4,9,11H2,1H3,(H,21,25)(H,26,27)