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

Systemtic Name: methyl 1-[2-[3-[(2-methylphenyl)methylsulfonyl]indol-1-yl]ethanoyl]piperidine-4-carboxylate Openeye Name: methyl 1-[2-[3-(o-tolylmethylsulfonyl)indol-1-yl]acetyl]piperidine-4-carboxylate CAS Name: 1-[2-[3-[(2-methylphenyl)methylsulfonyl]-1-indolyl]-1-oxoethyl]-4-piperidinecarboxylic acid methyl ester IUPAC Name: methyl 1-[2-[3-[(2-methylphenyl)methylsulfonyl]indol-1-yl]acetyl]piperidine-4-carboxylate Traditional Name: 1-[2-[3-(2-methylbenzyl)sulfonylindol-1-yl]acetyl]isonipecotic acid methyl ester Formula: C25H28N2O5S MolecularWeight: 468.56522

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CS(=O)(=O)C2=CN(C3=CC=CC=C32)CC(=O)N4CCC(CC4)C(=O)OC

Isomeric SMILES

CC1=CC=CC=C1CS(=O)(=O)C2=CN(C3=CC=CC=C32)CC(=O)N4CCC(CC4)C(=O)OC

InChI

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