4-[4-(3-methylphenyl)carbonylpiperidin-1-yl]sulfonylbenzoate

Systemtic Name: 4-[4-(3-methylphenyl)carbonylpiperidin-1-yl]sulfonylbenzoate Openeye Name: 4-[[4-(3-methylbenzoyl)-1-piperidyl]sulfonyl]benzoate CAS Name: 4-[[4-[(3-methylphenyl)-oxomethyl]-1-piperidinyl]sulfonyl]benzoate IUPAC Name: 4-[4-(3-methylbenzoyl)piperidin-1-yl]sulfonylbenzoate Traditional Name: 4-(4-m-toluoylpiperidino)sulfonylbenzoate Formula: C20H20NO5S- MolecularWeight: 386.4415

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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