4-[[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-4-yl]carbonylamino]-3-methyl-benzoic acid

Systemtic Name: 4-[[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-4-yl]carbonylamino]-3-methyl-benzoic acid Openeye Name: 4-[[1-(3,5-dimethylisoxazol-4-yl)sulfonylpiperidine-4-carbonyl]amino]-3-methyl-benzoic acid CAS Name: 4-[[[1-[(3,5-dimethyl-4-isoxazolyl)sulfonyl]-4-piperidinyl]-oxomethyl]amino]-3-methylbenzoic acid IUPAC Name: 4-[[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidine-4-carbonyl]amino]-3-methylbenzoic acid Traditional Name: 4-[[1-(3,5-dimethylisoxazol-4-yl)sulfonylisonipecotoyl]amino]-3-methyl-benzoic acid Formula: C19H23N3O6S MolecularWeight: 421.46742

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C(=O)O)NC(=O)C2CCN(CC2)S(=O)(=O)C3=C(ON=C3C)C

Isomeric SMILES

CC1=C(C=CC(=C1)C(=O)O)NC(=O)C2CCN(CC2)S(=O)(=O)C3=C(ON=C3C)C

InChI

InChI=1S/C19H23N3O6S/c1-11-10-15(19(24)25)4-5-16(11)20-18(23)14-6-8-22(9-7-14)29(26,27)17-12(2)21-28-13(17)3/h4-5,10,14H,6-9H2,1-3H3,(H,20,23)(H,24,25)