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

Systemtic Name: 1-ethyl-4-[4-[3-(3-phenylphenyl)propoxy]phenyl]sulfonyl-piperidine-4-carboxylic acid Openeye Name: 1-ethyl-4-[4-[3-(3-phenylphenyl)propoxy]phenyl]sulfonyl-piperidine-4-carboxylic acid CAS Name: 1-ethyl-4-[4-[3-(3-phenylphenyl)propoxy]phenyl]sulfonyl-4-piperidinecarboxylic acid IUPAC Name: 1-ethyl-4-[4-[3-(3-phenylphenyl)propoxy]phenyl]sulfonylpiperidine-4-carboxylic acid Traditional Name: 1-ethyl-4-[4-[3-(3-phenylphenyl)propoxy]phenyl]sulfonyl-isonipecotic acid Formula: C29H33NO5S MolecularWeight: 507.64102

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCC(CC1)(C(=O)O)S(=O)(=O)C2=CC=C(C=C2)OCCCC3=CC=CC(=C3)C4=CC=CC=C4

Isomeric SMILES

CCN1CCC(CC1)(C(=O)O)S(=O)(=O)C2=CC=C(C=C2)OCCCC3=CC=CC(=C3)C4=CC=CC=C4

InChI

InChI=1S/C29H33NO5S/c1-2-30-19-17-29(18-20-30,28(31)32)36(33,34)27-15-13-26(14-16-27)35-21-7-9-23-8-6-12-25(22-23)24-10-4-3-5-11-24/h3-6,8,10-16,22H,2,7,9,17-21H2,1H3,(H,31,32)