4-phenyl-1-(1-thiophen-2-ylsulfonylpiperidin-4-yl)carbonyl-piperidine-4-carboxylic acid

Systemtic Name: 4-phenyl-1-(1-thiophen-2-ylsulfonylpiperidin-4-yl)carbonyl-piperidine-4-carboxylic acid Openeye Name: 4-phenyl-1-[1-(2-thienylsulfonyl)piperidine-4-carbonyl]piperidine-4-carboxylic acid CAS Name: 1-[oxo-(1-thiophen-2-ylsulfonyl-4-piperidinyl)methyl]-4-phenyl-4-piperidinecarboxylic acid IUPAC Name: 4-phenyl-1-(1-thiophen-2-ylsulfonylpiperidine-4-carbonyl)piperidine-4-carboxylic acid Traditional Name: 4-phenyl-1-[1-(2-thienylsulfonyl)isonipecotoyl]isonipecotic acid Formula: C22H26N2O5S2 MolecularWeight: 462.58224

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)N2CCC(CC2)(C3=CC=CC=C3)C(=O)O)S(=O)(=O)C4=CC=CS4

Isomeric SMILES

C1CN(CCC1C(=O)N2CCC(CC2)(C3=CC=CC=C3)C(=O)O)S(=O)(=O)C4=CC=CS4

InChI

InChI=1S/C22H26N2O5S2/c25-20(17-8-12-24(13-9-17)31(28,29)19-7-4-16-30-19)23-14-10-22(11-15-23,21(26)27)18-5-2-1-3-6-18/h1-7,16-17H,8-15H2,(H,26,27)