4-[4-[azanyl(phenylsulfonyl)methyl]phenyl]-3-(naphthalen-2-ylmethoxy)piperidine-1-carboxylic acid

Systemtic Name: 4-[4-[azanyl(phenylsulfonyl)methyl]phenyl]-3-(naphthalen-2-ylmethoxy)piperidine-1-carboxylic acid Openeye Name: 4-[4-[amino(benzenesulfonyl)methyl]phenyl]-3-(2-naphthylmethoxy)piperidine-1-carboxylic acid CAS Name: 4-[4-[amino(benzenesulfonyl)methyl]phenyl]-3-(2-naphthalenylmethoxy)-1-piperidinecarboxylic acid IUPAC Name: 4-[4-[amino(benzenesulfonyl)methyl]phenyl]-3-(naphthalen-2-ylmethoxy)piperidine-1-carboxylic acid Traditional Name: 4-[4-[amino(besyl)methyl]phenyl]-3-(2-naphthylmethoxy)piperidine-1-carboxylic acid Formula: C30H30N2O5S MolecularWeight: 530.6346

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC(C1C2=CC=C(C=C2)C(N)S(=O)(=O)C3=CC=CC=C3)OCC4=CC5=CC=CC=C5C=C4)C(=O)O

Isomeric SMILES

C1CN(CC(C1C2=CC=C(C=C2)C(N)S(=O)(=O)C3=CC=CC=C3)OCC4=CC5=CC=CC=C5C=C4)C(=O)O

InChI

InChI=1S/C30H30N2O5S/c31-29(38(35,36)26-8-2-1-3-9-26)24-14-12-23(13-15-24)27-16-17-32(30(33)34)19-28(27)37-20-21-10-11-22-6-4-5-7-25(22)18-21/h1-15,18,27-29H,16-17,19-20,31H2,(H,33,34)