ethyl 1-[2-(ethylcarbamoylamino)-4-methylsulfonyl-phenyl]piperidine-4-carboxylate

Systemtic Name: ethyl 1-[2-(ethylcarbamoylamino)-4-methylsulfonyl-phenyl]piperidine-4-carboxylate Openeye Name: ethyl 1-[2-(ethylcarbamoylamino)-4-methylsulfonyl-phenyl]piperidine-4-carboxylate CAS Name: 1-[2-(ethylcarbamoylamino)-4-methylsulfonylphenyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[2-(ethylcarbamoylamino)-4-methylsulfonylphenyl]piperidine-4-carboxylate Traditional Name: 1-[2-(ethylcarbamoylamino)-4-mesyl-phenyl]isonipecotic acid ethyl ester Formula: C18H27N3O5S MolecularWeight: 397.48908

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Descriptors Computed from Structure

Canonical SMILES:

CCNC(=O)NC1=C(C=CC(=C1)S(=O)(=O)C)N2CCC(CC2)C(=O)OCC

Isomeric SMILES

CCNC(=O)NC1=C(C=CC(=C1)S(=O)(=O)C)N2CCC(CC2)C(=O)OCC

InChI

InChI=1S/C18H27N3O5S/c1-4-19-18(23)20-15-12-14(27(3,24)25)6-7-16(15)21-10-8-13(9-11-21)17(22)26-5-2/h6-7,12-13H,4-5,8-11H2,1-3H3,(H2,19,20,23)