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

Systemtic Name: methyl 1-[2-[3-(4-methylphenyl)sulfonylindol-1-yl]ethanoyl]piperidine-4-carboxylate Openeye Name: methyl 1-[2-[3-(p-tolylsulfonyl)indol-1-yl]acetyl]piperidine-4-carboxylate CAS Name: 1-[2-[3-(4-methylphenyl)sulfonyl-1-indolyl]-1-oxoethyl]-4-piperidinecarboxylic acid methyl ester IUPAC Name: methyl 1-[2-[3-(4-methylphenyl)sulfonylindol-1-yl]acetyl]piperidine-4-carboxylate Traditional Name: 1-[2-(3-tosylindol-1-yl)acetyl]isonipecotic acid methyl ester Formula: C24H26N2O5S MolecularWeight: 454.53864

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)C2=CN(C3=CC=CC=C32)CC(=O)N4CCC(CC4)C(=O)OC

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)C2=CN(C3=CC=CC=C32)CC(=O)N4CCC(CC4)C(=O)OC

InChI

InChI=1S/C24H26N2O5S/c1-17-7-9-19(10-8-17)32(29,30)22-15-26(21-6-4-3-5-20(21)22)16-23(27)25-13-11-18(12-14-25)24(28)31-2/h3-10,15,18H,11-14,16H2,1-2H3