3-[4-(4-methylphenyl)carbonylpiperidin-1-yl]sulfonylbenzoic acid

Systemtic Name: 3-[4-(4-methylphenyl)carbonylpiperidin-1-yl]sulfonylbenzoic acid Openeye Name: 3-[[4-(4-methylbenzoyl)-1-piperidyl]sulfonyl]benzoic acid CAS Name: 3-[[4-[(4-methylphenyl)-oxomethyl]-1-piperidinyl]sulfonyl]benzoic acid IUPAC Name: 3-[4-(4-methylbenzoyl)piperidin-1-yl]sulfonylbenzoic acid Traditional Name: 3-(4-p-toluoylpiperidino)sulfonylbenzoic acid Formula: C20H21NO5S MolecularWeight: 387.44944

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H21NO5S/c1-14-5-7-15(8-6-14)19(22)16-9-11-21(12-10-16)27(25,26)18-4-2-3-17(13-18)20(23)24/h2-8,13,16H,9-12H2,1H3,(H,23,24)