ethyl 4-(cyclopropylmethyl)-1-(2,5-dimethoxyphenyl)sulfonyl-piperidine-4-carboxylate

Systemtic Name: ethyl 4-(cyclopropylmethyl)-1-(2,5-dimethoxyphenyl)sulfonyl-piperidine-4-carboxylate Openeye Name: ethyl 4-(cyclopropylmethyl)-1-(2,5-dimethoxyphenyl)sulfonyl-piperidine-4-carboxylate CAS Name: 4-(cyclopropylmethyl)-1-(2,5-dimethoxyphenyl)sulfonyl-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-(cyclopropylmethyl)-1-(2,5-dimethoxyphenyl)sulfonylpiperidine-4-carboxylate Traditional Name: 4-(cyclopropylmethyl)-1-(2,5-dimethoxyphenyl)sulfonyl-isonipecotic acid ethyl ester Formula: C20H29NO6S MolecularWeight: 411.51236

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(CCN(CC1)S(=O)(=O)C2=C(C=CC(=C2)OC)OC)CC3CC3

Isomeric SMILES

CCOC(=O)C1(CCN(CC1)S(=O)(=O)C2=C(C=CC(=C2)OC)OC)CC3CC3

InChI

InChI=1S/C20H29NO6S/c1-4-27-19(22)20(14-15-5-6-15)9-11-21(12-10-20)28(23,24)18-13-16(25-2)7-8-17(18)26-3/h7-8,13,15H,4-6,9-12,14H2,1-3H3