[4-(1,3-dithiolan-2-yl)phenyl] 1-naphthalen-2-ylsulfonylpiperidine-4-carboxylate

Systemtic Name: [4-(1,3-dithiolan-2-yl)phenyl] 1-naphthalen-2-ylsulfonylpiperidine-4-carboxylate Openeye Name: [4-(1,3-dithiolan-2-yl)phenyl] 1-(2-naphthylsulfonyl)piperidine-4-carboxylate CAS Name: 1-(2-naphthalenylsulfonyl)-4-piperidinecarboxylic acid [4-(1,3-dithiolan-2-yl)phenyl] ester IUPAC Name: [4-(1,3-dithiolan-2-yl)phenyl] 1-naphthalen-2-ylsulfonylpiperidine-4-carboxylate Traditional Name: 1-(2-naphthylsulfonyl)isonipecotic acid [4-(1,3-dithiolan-2-yl)phenyl] ester Formula: C25H25NO4S3 MolecularWeight: 499.6653

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)OC2=CC=C(C=C2)C3SCCS3)S(=O)(=O)C4=CC5=CC=CC=C5C=C4

Isomeric SMILES

C1CN(CCC1C(=O)OC2=CC=C(C=C2)C3SCCS3)S(=O)(=O)C4=CC5=CC=CC=C5C=C4

InChI

InChI=1S/C25H25NO4S3/c27-24(30-22-8-5-20(6-9-22)25-31-15-16-32-25)19-11-13-26(14-12-19)33(28,29)23-10-7-18-3-1-2-4-21(18)17-23/h1-10,17,19,25H,11-16H2