2-[4-(4-methylphenyl)carbonylpiperidin-1-yl]sulfonylbenzoic acid

Systemtic Name: 2-[4-(4-methylphenyl)carbonylpiperidin-1-yl]sulfonylbenzoic acid Openeye Name: 2-[[4-(4-methylbenzoyl)-1-piperidyl]sulfonyl]benzoic acid CAS Name: 2-[[4-[(4-methylphenyl)-oxomethyl]-1-piperidinyl]sulfonyl]benzoic acid IUPAC Name: 2-[4-(4-methylbenzoyl)piperidin-1-yl]sulfonylbenzoic acid Traditional Name: 2-(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=C3C(=O)O

Isomeric SMILES

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

InChI

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