ethyl 4-(cyclopropylmethyl)-1-(5-ethylthiophen-2-yl)sulfonyl-piperidine-4-carboxylate

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(S1)S(=O)(=O)N2CCC(CC2)(CC3CC3)C(=O)OCC

Isomeric SMILES

CCC1=CC=C(S1)S(=O)(=O)N2CCC(CC2)(CC3CC3)C(=O)OCC

InChI

InChI=1S/C18H27NO4S2/c1-3-15-7-8-16(24-15)25(21,22)19-11-9-18(10-12-19,13-14-5-6-14)17(20)23-4-2/h7-8,14H,3-6,9-13H2,1-2H3