1-naphthalen-2-ylsulfonyl-5-(phenylmethoxymethyl)piperidine-3-carboxylic acid

Systemtic Name: 1-naphthalen-2-ylsulfonyl-5-(phenylmethoxymethyl)piperidine-3-carboxylic acid Openeye Name: 5-(benzyloxymethyl)-1-(2-naphthylsulfonyl)piperidine-3-carboxylic acid CAS Name: 1-(2-naphthalenylsulfonyl)-5-(phenylmethoxymethyl)-3-piperidinecarboxylic acid IUPAC Name: 1-naphthalen-2-ylsulfonyl-5-(phenylmethoxymethyl)piperidine-3-carboxylic acid Traditional Name: 5-(benzoxymethyl)-1-(2-naphthylsulfonyl)nipecotic acid Formula: C24H25NO5S MolecularWeight: 439.524

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Descriptors Computed from Structure

Canonical SMILES:

C1C(CN(CC1C(=O)O)S(=O)(=O)C2=CC3=CC=CC=C3C=C2)COCC4=CC=CC=C4

Isomeric SMILES

C1C(CN(CC1C(=O)O)S(=O)(=O)C2=CC3=CC=CC=C3C=C2)COCC4=CC=CC=C4

InChI

InChI=1S/C24H25NO5S/c26-24(27)22-12-19(17-30-16-18-6-2-1-3-7-18)14-25(15-22)31(28,29)23-11-10-20-8-4-5-9-21(20)13-23/h1-11,13,19,22H,12,14-17H2,(H,26,27)