4-phenylbutyl 1-[(2-methylphenyl)methylsulfonyl]piperidine-2-carboxylate

Systemtic Name: 4-phenylbutyl 1-[(2-methylphenyl)methylsulfonyl]piperidine-2-carboxylate Openeye Name: 4-phenylbutyl 1-(o-tolylmethylsulfonyl)piperidine-2-carboxylate CAS Name: 1-[(2-methylphenyl)methylsulfonyl]-2-piperidinecarboxylic acid 4-phenylbutyl ester IUPAC Name: 4-phenylbutyl 1-[(2-methylphenyl)methylsulfonyl]piperidine-2-carboxylate Traditional Name: 1-(2-methylbenzyl)sulfonylpipecolinic acid 4-phenylbutyl ester Formula: C24H31NO4S MolecularWeight: 429.57224

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CS(=O)(=O)N2CCCCC2C(=O)OCCCCC3=CC=CC=C3

Isomeric SMILES

CC1=CC=CC=C1CS(=O)(=O)N2CCCCC2C(=O)OCCCCC3=CC=CC=C3

InChI

InChI=1S/C24H31NO4S/c1-20-11-5-6-15-22(20)19-30(27,28)25-17-9-7-16-23(25)24(26)29-18-10-8-14-21-12-3-2-4-13-21/h2-6,11-13,15,23H,7-10,14,16-19H2,1H3