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

Systemtic Name: ethyl 1-[2-[3-(phenylmethyl)sulfonylindol-1-yl]ethanoyl]piperidine-4-carboxylate Openeye Name: ethyl 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 ethyl ester IUPAC Name: ethyl 1-[2-(3-benzylsulfonylindol-1-yl)acetyl]piperidine-4-carboxylate Traditional Name: 1-[2-(3-benzylsulfonylindol-1-yl)acetyl]isonipecotic acid ethyl ester Formula: C25H28N2O5S MolecularWeight: 468.56522

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H28N2O5S/c1-2-32-25(29)20-12-14-26(15-13-20)24(28)17-27-16-23(21-10-6-7-11-22(21)27)33(30,31)18-19-8-4-3-5-9-19/h3-11,16,20H,2,12-15,17-18H2,1H3