[2-(1-naphthalen-1-ylethylamino)-2-oxidanylidene-ethyl] 1-ethylsulfonylpiperidine-4-carboxylate

Systemtic Name: [2-(1-naphthalen-1-ylethylamino)-2-oxidanylidene-ethyl] 1-ethylsulfonylpiperidine-4-carboxylate Openeye Name: [2-[1-(1-naphthyl)ethylamino]-2-oxo-ethyl] 1-ethylsulfonylpiperidine-4-carboxylate CAS Name: 1-ethylsulfonyl-4-piperidinecarboxylic acid [2-[1-(1-naphthalenyl)ethylamino]-2-oxoethyl] ester IUPAC Name: [2-(1-naphthalen-1-ylethylamino)-2-oxoethyl] 1-ethylsulfonylpiperidine-4-carboxylate Traditional Name: 1-esylisonipecotic acid [2-keto-2-[1-(1-naphthyl)ethylamino]ethyl] ester Formula: C22H28N2O5S MolecularWeight: 432.53312

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)N1CCC(CC1)C(=O)OCC(=O)NC(C)C2=CC=CC3=CC=CC=C32

Isomeric SMILES

CCS(=O)(=O)N1CCC(CC1)C(=O)OCC(=O)NC(C)C2=CC=CC3=CC=CC=C32

InChI

InChI=1S/C22H28N2O5S/c1-3-30(27,28)24-13-11-18(12-14-24)22(26)29-15-21(25)23-16(2)19-10-6-8-17-7-4-5-9-20(17)19/h4-10,16,18H,3,11-15H2,1-2H3,(H,23,25)