ethyl 4-[[4-(3,4-dimethylphenoxy)phenyl]sulfonylmethyl]piperidine-4-carboxylate hydrochloride

Systemtic Name: ethyl 4-[[4-(3,4-dimethylphenoxy)phenyl]sulfonylmethyl]piperidine-4-carboxylate hydrochloride Openeye Name: ethyl 4-[[4-(3,4-dimethylphenoxy)phenyl]sulfonylmethyl]piperidine-4-carboxylate hydrochloride CAS Name: 4-[[4-(3,4-dimethylphenoxy)phenyl]sulfonylmethyl]-4-piperidinecarboxylic acid ethyl ester hydrochloride IUPAC Name: ethyl 4-[[4-(3,4-dimethylphenoxy)phenyl]sulfonylmethyl]piperidine-4-carboxylate hydrochloride Traditional Name: 4-[[4-(3,4-dimethylphenoxy)phenyl]sulfonylmethyl]isonipecotic acid ethyl ester hydrochloride Formula: C23H30ClNO5S MolecularWeight: 468.006

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(CCNCC1)CS(=O)(=O)C2=CC=C(C=C2)OC3=CC(=C(C=C3)C)C.Cl

Isomeric SMILES

CCOC(=O)C1(CCNCC1)CS(=O)(=O)C2=CC=C(C=C2)OC3=CC(=C(C=C3)C)C.Cl

InChI

InChI=1S/C23H29NO5S.ClH/c1-4-28-22(25)23(11-13-24-14-12-23)16-30(26,27)21-9-7-19(8-10-21)29-20-6-5-17(2)18(3)15-20;/h5-10,15,24H,4,11-14,16H2,1-3H3;1H