2-(3-methylphenoxy)ethyl 1-(4-ethanoylphenyl)sulfonylpiperidine-2-carboxylate

Systemtic Name: 2-(3-methylphenoxy)ethyl 1-(4-ethanoylphenyl)sulfonylpiperidine-2-carboxylate Openeye Name: 2-(3-methylphenoxy)ethyl 1-(4-acetylphenyl)sulfonylpiperidine-2-carboxylate CAS Name: 1-(4-acetylphenyl)sulfonyl-2-piperidinecarboxylic acid 2-(3-methylphenoxy)ethyl ester IUPAC Name: 2-(3-methylphenoxy)ethyl 1-(4-acetylphenyl)sulfonylpiperidine-2-carboxylate Traditional Name: 1-(4-acetylphenyl)sulfonylpipecolinic acid 2-(3-methylphenoxy)ethyl ester Formula: C23H27NO6S MolecularWeight: 445.52858

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)OCCOC(=O)C2CCCCN2S(=O)(=O)C3=CC=C(C=C3)C(=O)C

Isomeric SMILES

CC1=CC(=CC=C1)OCCOC(=O)C2CCCCN2S(=O)(=O)C3=CC=C(C=C3)C(=O)C

InChI

InChI=1S/C23H27NO6S/c1-17-6-5-7-20(16-17)29-14-15-30-23(26)22-8-3-4-13-24(22)31(27,28)21-11-9-19(10-12-21)18(2)25/h5-7,9-12,16,22H,3-4,8,13-15H2,1-2H3