[2-(butan-2-ylamino)-2-oxidanylidene-ethyl] 3-(4-piperidin-1-ylsulfonylphenyl)propanoate

Systemtic Name: [2-(butan-2-ylamino)-2-oxidanylidene-ethyl] 3-(4-piperidin-1-ylsulfonylphenyl)propanoate Openeye Name: [2-oxo-2-(sec-butylamino)ethyl] 3-[4-(1-piperidylsulfonyl)phenyl]propanoate CAS Name: 3-[4-(1-piperidinylsulfonyl)phenyl]propanoic acid [2-(butan-2-ylamino)-2-oxoethyl] ester IUPAC Name: [2-(butan-2-ylamino)-2-oxoethyl] 3-(4-piperidin-1-ylsulfonylphenyl)propanoate Traditional Name: 3-(4-piperidinosulfonylphenyl)propionic acid [2-keto-2-(sec-butylamino)ethyl] ester Formula: C20H30N2O5S MolecularWeight: 410.5276

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)NC(=O)COC(=O)CCC1=CC=C(C=C1)S(=O)(=O)N2CCCCC2

Isomeric SMILES

CCC(C)NC(=O)COC(=O)CCC1=CC=C(C=C1)S(=O)(=O)N2CCCCC2

InChI

InChI=1S/C20H30N2O5S/c1-3-16(2)21-19(23)15-27-20(24)12-9-17-7-10-18(11-8-17)28(25,26)22-13-5-4-6-14-22/h7-8,10-11,16H,3-6,9,12-15H2,1-2H3,(H,21,23)