[2-oxidanylidene-2-(pentan-3-ylamino)ethyl] 2-(4-piperidin-1-ylsulfonylphenyl)ethanoate

Systemtic Name: [2-oxidanylidene-2-(pentan-3-ylamino)ethyl] 2-(4-piperidin-1-ylsulfonylphenyl)ethanoate Openeye Name: [2-(1-ethylpropylamino)-2-oxo-ethyl] 2-[4-(1-piperidylsulfonyl)phenyl]acetate CAS Name: 2-[4-(1-piperidinylsulfonyl)phenyl]acetic acid [2-oxo-2-(pentan-3-ylamino)ethyl] ester IUPAC Name: [2-oxo-2-(pentan-3-ylamino)ethyl] 2-(4-piperidin-1-ylsulfonylphenyl)acetate Traditional Name: 2-(4-piperidinosulfonylphenyl)acetic acid [2-(1-ethylpropylamino)-2-keto-ethyl] ester Formula: C20H30N2O5S MolecularWeight: 410.5276

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)NC(=O)COC(=O)CC1=CC=C(C=C1)S(=O)(=O)N2CCCCC2

Isomeric SMILES

CCC(CC)NC(=O)COC(=O)CC1=CC=C(C=C1)S(=O)(=O)N2CCCCC2

InChI

InChI=1S/C20H30N2O5S/c1-3-17(4-2)21-19(23)15-27-20(24)14-16-8-10-18(11-9-16)28(25,26)22-12-6-5-7-13-22/h8-11,17H,3-7,12-15H2,1-2H3,(H,21,23)