[1-(2-methylpropylamino)-1-oxidanylidene-propan-2-yl] 4-methyl-3-piperidin-1-ylsulfonyl-benzoate

Systemtic Name: [1-(2-methylpropylamino)-1-oxidanylidene-propan-2-yl] 4-methyl-3-piperidin-1-ylsulfonyl-benzoate Openeye Name: [2-(isobutylamino)-1-methyl-2-oxo-ethyl] 4-methyl-3-(1-piperidylsulfonyl)benzoate CAS Name: 4-methyl-3-(1-piperidinylsulfonyl)benzoic acid [1-(2-methylpropylamino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(2-methylpropylamino)-1-oxopropan-2-yl] 4-methyl-3-piperidin-1-ylsulfonylbenzoate Traditional Name: 4-methyl-3-piperidinosulfonyl-benzoic acid [2-(isobutylamino)-2-keto-1-methyl-ethyl] ester Formula: C20H30N2O5S MolecularWeight: 410.5276

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)OC(C)C(=O)NCC(C)C)S(=O)(=O)N2CCCCC2

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)OC(C)C(=O)NCC(C)C)S(=O)(=O)N2CCCCC2

InChI

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