3-[4-(phenylmethyl)piperidin-1-yl]sulfonylbenzoate

Systemtic Name: 3-[4-(phenylmethyl)piperidin-1-yl]sulfonylbenzoate Openeye Name: 3-[(4-benzyl-1-piperidyl)sulfonyl]benzoate CAS Name: 3-[[4-(phenylmethyl)-1-piperidinyl]sulfonyl]benzoate IUPAC Name: 3-(4-benzylpiperidin-1-yl)sulfonylbenzoate Traditional Name: 3-(4-benzylpiperidino)sulfonylbenzoate Formula: C19H20NO4S- MolecularWeight: 358.4314

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1CC2=CC=CC=C2)S(=O)(=O)C3=CC=CC(=C3)C(=O)[O-]

Isomeric SMILES

C1CN(CCC1CC2=CC=CC=C2)S(=O)(=O)C3=CC=CC(=C3)C(=O)[O-]

InChI

InChI=1S/C19H21NO4S/c21-19(22)17-7-4-8-18(14-17)25(23,24)20-11-9-16(10-12-20)13-15-5-2-1-3-6-15/h1-8,14,16H,9-13H2,(H,21,22)/p-1