3-(naphthalen-2-ylmethoxy)-4-[4-[(1-phenyl-1,2,3,4-tetrazol-5-yl)sulfanylmethyl]phenyl]piperidine-1-carboxylate

Systemtic Name: 3-(naphthalen-2-ylmethoxy)-4-[4-[(1-phenyl-1,2,3,4-tetrazol-5-yl)sulfanylmethyl]phenyl]piperidine-1-carboxylate Openeye Name: 3-(2-naphthylmethoxy)-4-[4-[(1-phenyltetrazol-5-yl)sulfanylmethyl]phenyl]piperidine-1-carboxylate CAS Name: 3-(2-naphthalenylmethoxy)-4-[4-[[(1-phenyl-5-tetrazolyl)thio]methyl]phenyl]-1-piperidinecarboxylate IUPAC Name: 3-(naphthalen-2-ylmethoxy)-4-[4-[(1-phenyltetrazol-5-yl)sulfanylmethyl]phenyl]piperidine-1-carboxylate Traditional Name: 3-(2-naphthylmethoxy)-4-[4-[[(1-phenyltetrazol-5-yl)thio]methyl]phenyl]piperidine-1-carboxylate Formula: C31H28N5O3S- MolecularWeight: 550.65072

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC(C1C2=CC=C(C=C2)CSC3=NN=NN3C4=CC=CC=C4)OCC5=CC6=CC=CC=C6C=C5)C(=O)[O-]

Isomeric SMILES

C1CN(CC(C1C2=CC=C(C=C2)CSC3=NN=NN3C4=CC=CC=C4)OCC5=CC6=CC=CC=C6C=C5)C(=O)[O-]

InChI

InChI=1S/C31H29N5O3S/c37-31(38)35-17-16-28(29(19-35)39-20-23-12-13-24-6-4-5-7-26(24)18-23)25-14-10-22(11-15-25)21-40-30-32-33-34-36(30)27-8-2-1-3-9-27/h1-15,18,28-29H,16-17,19-21H2,(H,37,38)/p-1