1,7-diphenylheptan-4-yl 1-[(3-methylphenyl)methylsulfonyl]piperidine-2-carboxylate

Systemtic Name: 1,7-diphenylheptan-4-yl 1-[(3-methylphenyl)methylsulfonyl]piperidine-2-carboxylate Openeye Name: [4-phenyl-1-(3-phenylpropyl)butyl] 1-(m-tolylmethylsulfonyl)piperidine-2-carboxylate CAS Name: 1-[(3-methylphenyl)methylsulfonyl]-2-piperidinecarboxylic acid 1,7-diphenylheptan-4-yl ester IUPAC Name: 1,7-diphenylheptan-4-yl 1-[(3-methylphenyl)methylsulfonyl]piperidine-2-carboxylate Traditional Name: 1-(3-methylbenzyl)sulfonylpipecolinic acid [4-phenyl-1-(3-phenylpropyl)butyl] ester Formula: C33H41NO4S MolecularWeight: 547.74794

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)CS(=O)(=O)N2CCCCC2C(=O)OC(CCCC3=CC=CC=C3)CCCC4=CC=CC=C4

Isomeric SMILES

CC1=CC(=CC=C1)CS(=O)(=O)N2CCCCC2C(=O)OC(CCCC3=CC=CC=C3)CCCC4=CC=CC=C4

InChI

InChI=1S/C33H41NO4S/c1-27-13-10-20-30(25-27)26-39(36,37)34-24-9-8-23-32(34)33(35)38-31(21-11-18-28-14-4-2-5-15-28)22-12-19-29-16-6-3-7-17-29/h2-7,10,13-17,20,25,31-32H,8-9,11-12,18-19,21-24,26H2,1H3