4-phenylbutyl 1-(3,4,5-trimethoxyphenyl)sulfonylpiperidine-2-carboxylate

Systemtic Name: 4-phenylbutyl 1-(3,4,5-trimethoxyphenyl)sulfonylpiperidine-2-carboxylate Openeye Name: 4-phenylbutyl 1-(3,4,5-trimethoxyphenyl)sulfonylpiperidine-2-carboxylate CAS Name: 1-(3,4,5-trimethoxyphenyl)sulfonyl-2-piperidinecarboxylic acid 4-phenylbutyl ester IUPAC Name: 4-phenylbutyl 1-(3,4,5-trimethoxyphenyl)sulfonylpiperidine-2-carboxylate Traditional Name: 1-(3,4,5-trimethoxyphenyl)sulfonylpipecolinic acid 4-phenylbutyl ester Formula: C25H33NO7S MolecularWeight: 491.59702

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)S(=O)(=O)N2CCCCC2C(=O)OCCCCC3=CC=CC=C3

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)S(=O)(=O)N2CCCCC2C(=O)OCCCCC3=CC=CC=C3

InChI

InChI=1S/C25H33NO7S/c1-30-22-17-20(18-23(31-2)24(22)32-3)34(28,29)26-15-9-7-14-21(26)25(27)33-16-10-8-13-19-11-5-4-6-12-19/h4-6,11-12,17-18,21H,7-10,13-16H2,1-3H3