2-methyl-2-[4-[3-methyl-4-(1,3-thiazol-2-yl)phenyl]piperidin-1-yl]sulfonyl-propanoic acid

Systemtic Name: 2-methyl-2-[4-[3-methyl-4-(1,3-thiazol-2-yl)phenyl]piperidin-1-yl]sulfonyl-propanoic acid Openeye Name: 2-methyl-2-[[4-(3-methyl-4-thiazol-2-yl-phenyl)-1-piperidyl]sulfonyl]propanoic acid CAS Name: 2-methyl-2-[[4-[3-methyl-4-(2-thiazolyl)phenyl]-1-piperidinyl]sulfonyl]propanoic acid IUPAC Name: 2-methyl-2-[4-[3-methyl-4-(1,3-thiazol-2-yl)phenyl]piperidin-1-yl]sulfonylpropanoic acid Traditional Name: 2-methyl-2-[4-(3-methyl-4-thiazol-2-yl-phenyl)piperidino]sulfonyl-propionic acid Formula: C19H24N2O4S2 MolecularWeight: 408.53486

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C2CCN(CC2)S(=O)(=O)C(C)(C)C(=O)O)C3=NC=CS3

Isomeric SMILES

CC1=C(C=CC(=C1)C2CCN(CC2)S(=O)(=O)C(C)(C)C(=O)O)C3=NC=CS3

InChI

InChI=1S/C19H24N2O4S2/c1-13-12-15(4-5-16(13)17-20-8-11-26-17)14-6-9-21(10-7-14)27(24,25)19(2,3)18(22)23/h4-5,8,11-12,14H,6-7,9-10H2,1-3H3,(H,22,23)