ethyl 1-butyl-4-[4-(4-chloranylphenoxy)phenyl]sulfonyl-piperidine-4-carboxylate

Systemtic Name: ethyl 1-butyl-4-[4-(4-chloranylphenoxy)phenyl]sulfonyl-piperidine-4-carboxylate Openeye Name: ethyl 1-butyl-4-[4-(4-chlorophenoxy)phenyl]sulfonyl-piperidine-4-carboxylate CAS Name: 1-butyl-4-[4-(4-chlorophenoxy)phenyl]sulfonyl-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-butyl-4-[4-(4-chlorophenoxy)phenyl]sulfonylpiperidine-4-carboxylate Traditional Name: 1-butyl-4-[4-(4-chlorophenoxy)phenyl]sulfonyl-isonipecotic acid ethyl ester Formula: C24H30ClNO5S MolecularWeight: 480.0167

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCN1CCC(CC1)(C(=O)OCC)S(=O)(=O)C2=CC=C(C=C2)OC3=CC=C(C=C3)Cl

Isomeric SMILES

CCCCN1CCC(CC1)(C(=O)OCC)S(=O)(=O)C2=CC=C(C=C2)OC3=CC=C(C=C3)Cl

InChI

InChI=1S/C24H30ClNO5S/c1-3-5-16-26-17-14-24(15-18-26,23(27)30-4-2)32(28,29)22-12-10-21(11-13-22)31-20-8-6-19(25)7-9-20/h6-13H,3-5,14-18H2,1-2H3