[1-oxidanylidene-1-(prop-2-enylamino)propan-2-yl] 3-piperidin-1-ylsulfonylbenzoate

Systemtic Name: [1-oxidanylidene-1-(prop-2-enylamino)propan-2-yl] 3-piperidin-1-ylsulfonylbenzoate Openeye Name: [2-(allylamino)-1-methyl-2-oxo-ethyl] 3-(1-piperidylsulfonyl)benzoate CAS Name: 3-(1-piperidinylsulfonyl)benzoic acid [1-oxo-1-(prop-2-enylamino)propan-2-yl] ester IUPAC Name: [1-oxo-1-(prop-2-enylamino)propan-2-yl] 3-piperidin-1-ylsulfonylbenzoate Traditional Name: 3-piperidinosulfonylbenzoic acid [2-(allylamino)-2-keto-1-methyl-ethyl] ester Formula: C18H24N2O5S MolecularWeight: 380.45856

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H24N2O5S/c1-3-10-19-17(21)14(2)25-18(22)15-8-7-9-16(13-15)26(23,24)20-11-5-4-6-12-20/h3,7-9,13-14H,1,4-6,10-12H2,2H3,(H,19,21)