(4-ethylphenyl) 1-naphthalen-2-ylsulfonylpiperidine-4-carboxylate

Systemtic Name: (4-ethylphenyl) 1-naphthalen-2-ylsulfonylpiperidine-4-carboxylate Openeye Name: (4-ethylphenyl) 1-(2-naphthylsulfonyl)piperidine-4-carboxylate CAS Name: 1-(2-naphthalenylsulfonyl)-4-piperidinecarboxylic acid (4-ethylphenyl) ester IUPAC Name: (4-ethylphenyl) 1-naphthalen-2-ylsulfonylpiperidine-4-carboxylate Traditional Name: 1-(2-naphthylsulfonyl)isonipecotic acid (4-ethylphenyl) ester Formula: C24H25NO4S MolecularWeight: 423.5246

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)OC(=O)C2CCN(CC2)S(=O)(=O)C3=CC4=CC=CC=C4C=C3

Isomeric SMILES

CCC1=CC=C(C=C1)OC(=O)C2CCN(CC2)S(=O)(=O)C3=CC4=CC=CC=C4C=C3

InChI

InChI=1S/C24H25NO4S/c1-2-18-7-10-22(11-8-18)29-24(26)20-13-15-25(16-14-20)30(27,28)23-12-9-19-5-3-4-6-21(19)17-23/h3-12,17,20H,2,13-16H2,1H3