methyl 1-[2-[3-(phenylmethyl)sulfonylindol-1-yl]ethanoyl]piperidine-4-carboxylate

Systemtic Name: methyl 1-[2-[3-(phenylmethyl)sulfonylindol-1-yl]ethanoyl]piperidine-4-carboxylate Openeye Name: methyl 1-[2-(3-benzylsulfonylindol-1-yl)acetyl]piperidine-4-carboxylate CAS Name: 1-[1-oxo-2-[3-(phenylmethyl)sulfonyl-1-indolyl]ethyl]-4-piperidinecarboxylic acid methyl ester IUPAC Name: methyl 1-[2-(3-benzylsulfonylindol-1-yl)acetyl]piperidine-4-carboxylate Traditional Name: 1-[2-(3-benzylsulfonylindol-1-yl)acetyl]isonipecotic acid methyl ester Formula: C24H26N2O5S MolecularWeight: 454.53864

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CCN(CC1)C(=O)CN2C=C(C3=CC=CC=C32)S(=O)(=O)CC4=CC=CC=C4

Isomeric SMILES

COC(=O)C1CCN(CC1)C(=O)CN2C=C(C3=CC=CC=C32)S(=O)(=O)CC4=CC=CC=C4

InChI

InChI=1S/C24H26N2O5S/c1-31-24(28)19-11-13-25(14-12-19)23(27)16-26-15-22(20-9-5-6-10-21(20)26)32(29,30)17-18-7-3-2-4-8-18/h2-10,15,19H,11-14,16-17H2,1H3