(6-phenyl-1-pyridin-3-yl-hexan-3-yl) 1-[(3-methylphenyl)methylsulfonyl]pyrrolidine-2-carboxylate

Systemtic Name: (6-phenyl-1-pyridin-3-yl-hexan-3-yl) 1-[(3-methylphenyl)methylsulfonyl]pyrrolidine-2-carboxylate Openeye Name: [4-phenyl-1-[2-(3-pyridyl)ethyl]butyl] 1-(m-tolylmethylsulfonyl)pyrrolidine-2-carboxylate CAS Name: 1-[(3-methylphenyl)methylsulfonyl]-2-pyrrolidinecarboxylic acid [6-phenyl-1-(3-pyridinyl)hexan-3-yl] ester IUPAC Name: (6-phenyl-1-pyridin-3-ylhexan-3-yl) 1-[(3-methylphenyl)methylsulfonyl]pyrrolidine-2-carboxylate Traditional Name: 1-(3-methylbenzyl)sulfonylpyrrolidine-2-carboxylic acid [4-phenyl-1-[2-(3-pyridyl)ethyl]butyl] ester Formula: C30H36N2O4S MolecularWeight: 520.68284

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)CS(=O)(=O)N2CCCC2C(=O)OC(CCCC3=CC=CC=C3)CCC4=CN=CC=C4

Isomeric SMILES

CC1=CC(=CC=C1)CS(=O)(=O)N2CCCC2C(=O)OC(CCCC3=CC=CC=C3)CCC4=CN=CC=C4

InChI

InChI=1S/C30H36N2O4S/c1-24-9-5-13-27(21-24)23-37(34,35)32-20-8-16-29(32)30(33)36-28(18-17-26-14-7-19-31-22-26)15-6-12-25-10-3-2-4-11-25/h2-5,7,9-11,13-14,19,21-22,28-29H,6,8,12,15-18,20,23H2,1H3