3-(naphthalen-2-ylmethoxy)-4-[4-[(6-nitro-1,3-benzothiazol-2-yl)sulfanylmethyl]phenyl]piperidine-1-carboxylate

Systemtic Name: 3-(naphthalen-2-ylmethoxy)-4-[4-[(6-nitro-1,3-benzothiazol-2-yl)sulfanylmethyl]phenyl]piperidine-1-carboxylate Openeye Name: 3-(2-naphthylmethoxy)-4-[4-[(6-nitro-1,3-benzothiazol-2-yl)sulfanylmethyl]phenyl]piperidine-1-carboxylate CAS Name: 3-(2-naphthalenylmethoxy)-4-[4-[[(6-nitro-1,3-benzothiazol-2-yl)thio]methyl]phenyl]-1-piperidinecarboxylate IUPAC Name: 3-(naphthalen-2-ylmethoxy)-4-[4-[(6-nitro-1,3-benzothiazol-2-yl)sulfanylmethyl]phenyl]piperidine-1-carboxylate Traditional Name: 3-(2-naphthylmethoxy)-4-[4-[[(6-nitro-1,3-benzothiazol-2-yl)thio]methyl]phenyl]piperidine-1-carboxylate Formula: C31H26N3O5S2- MolecularWeight: 584.68524

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC(C1C2=CC=C(C=C2)CSC3=NC4=C(S3)C=C(C=C4)[N+](=O)[O-])OCC5=CC6=CC=CC=C6C=C5)C(=O)[O-]

Isomeric SMILES

C1CN(CC(C1C2=CC=C(C=C2)CSC3=NC4=C(S3)C=C(C=C4)[N+](=O)[O-])OCC5=CC6=CC=CC=C6C=C5)C(=O)[O-]

InChI

InChI=1S/C31H27N3O5S2/c35-31(36)33-14-13-26(28(17-33)39-18-21-7-8-22-3-1-2-4-24(22)15-21)23-9-5-20(6-10-23)19-40-30-32-27-12-11-25(34(37)38)16-29(27)41-30/h1-12,15-16,26,28H,13-14,17-19H2,(H,35,36)/p-1