4-[4-(furan-2-yl)phenyl]sulfonyl-1-(phenylmethyl)piperidine-4-carboxylic acid

Systemtic Name: 4-[4-(furan-2-yl)phenyl]sulfonyl-1-(phenylmethyl)piperidine-4-carboxylic acid Openeye Name: 1-benzyl-4-[4-(2-furyl)phenyl]sulfonyl-piperidine-4-carboxylic acid CAS Name: 4-[4-(2-furanyl)phenyl]sulfonyl-1-(phenylmethyl)-4-piperidinecarboxylic acid IUPAC Name: 1-benzyl-4-[4-(furan-2-yl)phenyl]sulfonylpiperidine-4-carboxylic acid Traditional Name: 1-benzyl-4-[4-(2-furyl)phenyl]sulfonyl-isonipecotic acid Formula: C23H23NO5S MolecularWeight: 425.49742

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1(C(=O)O)S(=O)(=O)C2=CC=C(C=C2)C3=CC=CO3)CC4=CC=CC=C4

Isomeric SMILES

C1CN(CCC1(C(=O)O)S(=O)(=O)C2=CC=C(C=C2)C3=CC=CO3)CC4=CC=CC=C4

InChI

InChI=1S/C23H23NO5S/c25-22(26)23(12-14-24(15-13-23)17-18-5-2-1-3-6-18)30(27,28)20-10-8-19(9-11-20)21-7-4-16-29-21/h1-11,16H,12-15,17H2,(H,25,26)