1-(phenylmethyl)sulfonyl-3-[1-(3,4,5-trimethoxyphenyl)propyl]piperidine-2-carboxylic acid

Systemtic Name: 1-(phenylmethyl)sulfonyl-3-[1-(3,4,5-trimethoxyphenyl)propyl]piperidine-2-carboxylic acid Openeye Name: 1-benzylsulfonyl-3-[1-(3,4,5-trimethoxyphenyl)propyl]piperidine-2-carboxylic acid CAS Name: 1-(phenylmethyl)sulfonyl-3-[1-(3,4,5-trimethoxyphenyl)propyl]-2-piperidinecarboxylic acid IUPAC Name: 1-benzylsulfonyl-3-[1-(3,4,5-trimethoxyphenyl)propyl]piperidine-2-carboxylic acid Traditional Name: 1-benzylsulfonyl-3-[1-(3,4,5-trimethoxyphenyl)propyl]pipecolinic acid Formula: C25H33NO7S MolecularWeight: 491.59702

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C1CCCN(C1C(=O)O)S(=O)(=O)CC2=CC=CC=C2)C3=CC(=C(C(=C3)OC)OC)OC

Isomeric SMILES

CCC(C1CCCN(C1C(=O)O)S(=O)(=O)CC2=CC=CC=C2)C3=CC(=C(C(=C3)OC)OC)OC

InChI

InChI=1S/C25H33NO7S/c1-5-19(18-14-21(31-2)24(33-4)22(15-18)32-3)20-12-9-13-26(23(20)25(27)28)34(29,30)16-17-10-7-6-8-11-17/h6-8,10-11,14-15,19-20,23H,5,9,12-13,16H2,1-4H3,(H,27,28)