(4-ethylphenyl) 1-(phenylmethyl)sulfonylpiperidine-4-carboxylate

Systemtic Name: (4-ethylphenyl) 1-(phenylmethyl)sulfonylpiperidine-4-carboxylate Openeye Name: (4-ethylphenyl) 1-benzylsulfonylpiperidine-4-carboxylate CAS Name: 1-(phenylmethyl)sulfonyl-4-piperidinecarboxylic acid (4-ethylphenyl) ester IUPAC Name: (4-ethylphenyl) 1-benzylsulfonylpiperidine-4-carboxylate Traditional Name: 1-benzylsulfonylisonipecotic acid (4-ethylphenyl) ester Formula: C21H25NO4S MolecularWeight: 387.4925

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)OC(=O)C2CCN(CC2)S(=O)(=O)CC3=CC=CC=C3

Isomeric SMILES

CCC1=CC=C(C=C1)OC(=O)C2CCN(CC2)S(=O)(=O)CC3=CC=CC=C3

InChI

InChI=1S/C21H25NO4S/c1-2-17-8-10-20(11-9-17)26-21(23)19-12-14-22(15-13-19)27(24,25)16-18-6-4-3-5-7-18/h3-11,19H,2,12-16H2,1H3