[2-(3-methylbutylamino)-2-oxidanylidene-ethyl] 4-methyl-3-piperidin-1-ylsulfonyl-benzoate

Systemtic Name: [2-(3-methylbutylamino)-2-oxidanylidene-ethyl] 4-methyl-3-piperidin-1-ylsulfonyl-benzoate Openeye Name: [2-(isopentylamino)-2-oxo-ethyl] 4-methyl-3-(1-piperidylsulfonyl)benzoate CAS Name: 4-methyl-3-(1-piperidinylsulfonyl)benzoic acid [2-(3-methylbutylamino)-2-oxoethyl] ester IUPAC Name: [2-(3-methylbutylamino)-2-oxoethyl] 4-methyl-3-piperidin-1-ylsulfonylbenzoate Traditional Name: 4-methyl-3-piperidinosulfonyl-benzoic acid [2-(isoamylamino)-2-keto-ethyl] ester Formula: C20H30N2O5S MolecularWeight: 410.5276

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)OCC(=O)NCCC(C)C)S(=O)(=O)N2CCCCC2

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)OCC(=O)NCCC(C)C)S(=O)(=O)N2CCCCC2

InChI

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