ethyl 1-[2-[3-[(4-methylphenyl)methylsulfonyl]indol-1-yl]ethanoyl]piperidine-4-carboxylate

Systemtic Name: ethyl 1-[2-[3-[(4-methylphenyl)methylsulfonyl]indol-1-yl]ethanoyl]piperidine-4-carboxylate Openeye Name: ethyl 1-[2-[3-(p-tolylmethylsulfonyl)indol-1-yl]acetyl]piperidine-4-carboxylate CAS Name: 1-[2-[3-[(4-methylphenyl)methylsulfonyl]-1-indolyl]-1-oxoethyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[2-[3-[(4-methylphenyl)methylsulfonyl]indol-1-yl]acetyl]piperidine-4-carboxylate Traditional Name: 1-[2-[3-(4-methylbenzyl)sulfonylindol-1-yl]acetyl]isonipecotic acid ethyl ester Formula: C26H30N2O5S MolecularWeight: 482.5918

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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=C(C=C4)C

Isomeric SMILES

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

InChI

InChI=1S/C26H30N2O5S/c1-3-33-26(30)21-12-14-27(15-13-21)25(29)17-28-16-24(22-6-4-5-7-23(22)28)34(31,32)18-20-10-8-19(2)9-11-20/h4-11,16,21H,3,12-15,17-18H2,1-2H3