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

Systemtic Name: [2-(3-methylbutylamino)-2-oxidanylidene-ethyl] 3-(4-piperidin-1-ylsulfonylphenyl)propanoate Openeye Name: [2-(isopentylamino)-2-oxo-ethyl] 3-[4-(1-piperidylsulfonyl)phenyl]propanoate CAS Name: 3-[4-(1-piperidinylsulfonyl)phenyl]propanoic acid [2-(3-methylbutylamino)-2-oxoethyl] ester IUPAC Name: [2-(3-methylbutylamino)-2-oxoethyl] 3-(4-piperidin-1-ylsulfonylphenyl)propanoate Traditional Name: 3-(4-piperidinosulfonylphenyl)propionic acid [2-(isoamylamino)-2-keto-ethyl] ester Formula: C21H32N2O5S MolecularWeight: 424.55418

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCNC(=O)COC(=O)CCC1=CC=C(C=C1)S(=O)(=O)N2CCCCC2

Isomeric SMILES

CC(C)CCNC(=O)COC(=O)CCC1=CC=C(C=C1)S(=O)(=O)N2CCCCC2

InChI

InChI=1S/C21H32N2O5S/c1-17(2)12-13-22-20(24)16-28-21(25)11-8-18-6-9-19(10-7-18)29(26,27)23-14-4-3-5-15-23/h6-7,9-10,17H,3-5,8,11-16H2,1-2H3,(H,22,24)