ethyl 4-(cyclopropylmethyl)-1-(2,5-dimethylthiophen-3-yl)sulfonyl-piperidine-4-carboxylate

Systemtic Name: ethyl 4-(cyclopropylmethyl)-1-(2,5-dimethylthiophen-3-yl)sulfonyl-piperidine-4-carboxylate Openeye Name: ethyl 4-(cyclopropylmethyl)-1-[(2,5-dimethyl-3-thienyl)sulfonyl]piperidine-4-carboxylate CAS Name: 4-(cyclopropylmethyl)-1-[(2,5-dimethyl-3-thiophenyl)sulfonyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-(cyclopropylmethyl)-1-(2,5-dimethylthiophen-3-yl)sulfonylpiperidine-4-carboxylate Traditional Name: 4-(cyclopropylmethyl)-1-[(2,5-dimethyl-3-thienyl)sulfonyl]isonipecotic acid ethyl ester Formula: C18H27NO4S2 MolecularWeight: 385.54128

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H27NO4S2/c1-4-23-17(20)18(12-15-5-6-15)7-9-19(10-8-18)25(21,22)16-11-13(2)24-14(16)3/h11,15H,4-10,12H2,1-3H3