ethyl 1-[4-methoxy-3-(4-methylpiperidin-1-yl)carbonyl-phenyl]sulfonylpiperidine-4-carboxylate

Systemtic Name: ethyl 1-[4-methoxy-3-(4-methylpiperidin-1-yl)carbonyl-phenyl]sulfonylpiperidine-4-carboxylate Openeye Name: ethyl 1-[4-methoxy-3-(4-methylpiperidine-1-carbonyl)phenyl]sulfonylpiperidine-4-carboxylate CAS Name: 1-[4-methoxy-3-[(4-methyl-1-piperidinyl)-oxomethyl]phenyl]sulfonyl-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[4-methoxy-3-(4-methylpiperidine-1-carbonyl)phenyl]sulfonylpiperidine-4-carboxylate Traditional Name: 1-[4-methoxy-3-(4-methylpiperidine-1-carbonyl)phenyl]sulfonylisonipecotic acid ethyl ester Formula: C22H32N2O6S MolecularWeight: 452.56428

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)OC)C(=O)N3CCC(CC3)C

Isomeric SMILES

CCOC(=O)C1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)OC)C(=O)N3CCC(CC3)C

InChI

InChI=1S/C22H32N2O6S/c1-4-30-22(26)17-9-13-24(14-10-17)31(27,28)18-5-6-20(29-3)19(15-18)21(25)23-11-7-16(2)8-12-23/h5-6,15-17H,4,7-14H2,1-3H3