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

Systemtic Name: ethyl 4-[4-(4-chloranylphenoxy)phenyl]sulfonyl-1-(phenylmethyl)piperidine-4-carboxylate Openeye Name: ethyl 1-benzyl-4-[4-(4-chlorophenoxy)phenyl]sulfonyl-piperidine-4-carboxylate CAS Name: 4-[4-(4-chlorophenoxy)phenyl]sulfonyl-1-(phenylmethyl)-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-benzyl-4-[4-(4-chlorophenoxy)phenyl]sulfonylpiperidine-4-carboxylate Traditional Name: 1-benzyl-4-[4-(4-chlorophenoxy)phenyl]sulfonyl-isonipecotic acid ethyl ester Formula: C27H28ClNO5S MolecularWeight: 514.03292

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(CCN(CC1)CC2=CC=CC=C2)S(=O)(=O)C3=CC=C(C=C3)OC4=CC=C(C=C4)Cl

Isomeric SMILES

CCOC(=O)C1(CCN(CC1)CC2=CC=CC=C2)S(=O)(=O)C3=CC=C(C=C3)OC4=CC=C(C=C4)Cl

InChI

InChI=1S/C27H28ClNO5S/c1-2-33-26(30)27(16-18-29(19-17-27)20-21-6-4-3-5-7-21)35(31,32)25-14-12-24(13-15-25)34-23-10-8-22(28)9-11-23/h3-15H,2,16-20H2,1H3