[(2R)-1-oxidanylidene-1-(prop-2-enylamino)propan-2-yl] 3-(4-ethanoylpiperazin-1-yl)sulfonylbenzoate

Systemtic Name: [(2R)-1-oxidanylidene-1-(prop-2-enylamino)propan-2-yl] 3-(4-ethanoylpiperazin-1-yl)sulfonylbenzoate Openeye Name: [(1R)-2-(allylamino)-1-methyl-2-oxo-ethyl] 3-(4-acetylpiperazin-1-yl)sulfonylbenzoate CAS Name: 3-[(4-acetyl-1-piperazinyl)sulfonyl]benzoic acid [(2R)-1-oxo-1-(prop-2-enylamino)propan-2-yl] ester IUPAC Name: [(2R)-1-oxo-1-(prop-2-enylamino)propan-2-yl] 3-(4-acetylpiperazin-1-yl)sulfonylbenzoate Traditional Name: 3-(4-acetylpiperazino)sulfonylbenzoic acid [(1R)-2-(allylamino)-2-keto-1-methyl-ethyl] ester Formula: C19H25N3O6S MolecularWeight: 423.4833

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCC=C)OC(=O)C1=CC(=CC=C1)S(=O)(=O)N2CCN(CC2)C(=O)C

Isomeric SMILES

C[C@H](C(=O)NCC=C)OC(=O)C1=CC(=CC=C1)S(=O)(=O)N2CCN(CC2)C(=O)C

InChI

InChI=1S/C19H25N3O6S/c1-4-8-20-18(24)14(2)28-19(25)16-6-5-7-17(13-16)29(26,27)22-11-9-21(10-12-22)15(3)23/h4-7,13-14H,1,8-12H2,2-3H3,(H,20,24)/t14-/m1/s1