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

Systemtic Name: ethyl 4-[4-(4-chloranylphenoxy)phenyl]sulfonyl-1-[(4-methoxyphenyl)methyl]piperidine-4-carboxylate Openeye Name: ethyl 4-[4-(4-chlorophenoxy)phenyl]sulfonyl-1-[(4-methoxyphenyl)methyl]piperidine-4-carboxylate CAS Name: 4-[4-(4-chlorophenoxy)phenyl]sulfonyl-1-[(4-methoxyphenyl)methyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[4-(4-chlorophenoxy)phenyl]sulfonyl-1-[(4-methoxyphenyl)methyl]piperidine-4-carboxylate Traditional Name: 4-[4-(4-chlorophenoxy)phenyl]sulfonyl-1-p-anisyl-isonipecotic acid ethyl ester Formula: C28H30ClNO6S MolecularWeight: 544.0589

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H30ClNO6S/c1-3-35-27(31)28(16-18-30(19-17-28)20-21-4-8-23(34-2)9-5-21)37(32,33)26-14-12-25(13-15-26)36-24-10-6-22(29)7-11-24/h4-15H,3,16-20H2,1-2H3