1-cyclopropyl-4-[4-[3-(3-phenylphenyl)propoxy]phenyl]sulfonyl-piperidine-4-carboxylic acid

Systemtic Name: 1-cyclopropyl-4-[4-[3-(3-phenylphenyl)propoxy]phenyl]sulfonyl-piperidine-4-carboxylic acid Openeye Name: 1-cyclopropyl-4-[4-[3-(3-phenylphenyl)propoxy]phenyl]sulfonyl-piperidine-4-carboxylic acid CAS Name: 1-cyclopropyl-4-[4-[3-(3-phenylphenyl)propoxy]phenyl]sulfonyl-4-piperidinecarboxylic acid IUPAC Name: 1-cyclopropyl-4-[4-[3-(3-phenylphenyl)propoxy]phenyl]sulfonylpiperidine-4-carboxylic acid Traditional Name: 1-cyclopropyl-4-[4-[3-(3-phenylphenyl)propoxy]phenyl]sulfonyl-isonipecotic acid Formula: C30H33NO5S MolecularWeight: 519.65172

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1N2CCC(CC2)(C(=O)O)S(=O)(=O)C3=CC=C(C=C3)OCCCC4=CC=CC(=C4)C5=CC=CC=C5

Isomeric SMILES

C1CC1N2CCC(CC2)(C(=O)O)S(=O)(=O)C3=CC=C(C=C3)OCCCC4=CC=CC(=C4)C5=CC=CC=C5

InChI

InChI=1S/C30H33NO5S/c32-29(33)30(17-19-31(20-18-30)26-11-12-26)37(34,35)28-15-13-27(14-16-28)36-21-5-7-23-6-4-10-25(22-23)24-8-2-1-3-9-24/h1-4,6,8-10,13-16,22,26H,5,7,11-12,17-21H2,(H,32,33)