1-(cyclopropylmethyl)-4-(4-phenoxyphenyl)sulfonyl-piperidine-4-carboxylic acid

Systemtic Name: 1-(cyclopropylmethyl)-4-(4-phenoxyphenyl)sulfonyl-piperidine-4-carboxylic acid Openeye Name: 1-(cyclopropylmethyl)-4-(4-phenoxyphenyl)sulfonyl-piperidine-4-carboxylic acid CAS Name: 1-(cyclopropylmethyl)-4-(4-phenoxyphenyl)sulfonyl-4-piperidinecarboxylic acid IUPAC Name: 1-(cyclopropylmethyl)-4-(4-phenoxyphenyl)sulfonylpiperidine-4-carboxylic acid Traditional Name: 1-(cyclopropylmethyl)-4-(4-phenoxyphenyl)sulfonyl-isonipecotic acid Formula: C22H25NO5S MolecularWeight: 415.5026

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1CN2CCC(CC2)(C(=O)O)S(=O)(=O)C3=CC=C(C=C3)OC4=CC=CC=C4

Isomeric SMILES

C1CC1CN2CCC(CC2)(C(=O)O)S(=O)(=O)C3=CC=C(C=C3)OC4=CC=CC=C4

InChI

InChI=1S/C22H25NO5S/c24-21(25)22(12-14-23(15-13-22)16-17-6-7-17)29(26,27)20-10-8-19(9-11-20)28-18-4-2-1-3-5-18/h1-5,8-11,17H,6-7,12-16H2,(H,24,25)