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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCNC(=O)COC(=O)CC1=CC=C(C=C1)S(=O)(=O)N2CCCCC2

Isomeric SMILES

CC(C)CCNC(=O)COC(=O)CC1=CC=C(C=C1)S(=O)(=O)N2CCCCC2

InChI

InChI=1S/C20H30N2O5S/c1-16(2)10-11-21-19(23)15-27-20(24)14-17-6-8-18(9-7-17)28(25,26)22-12-4-3-5-13-22/h6-9,16H,3-5,10-15H2,1-2H3,(H,21,23)