[(2S)-1-oxidanylidene-1-(propan-2-ylamino)propan-2-yl] 3-(4-ethanoylpiperazin-1-yl)sulfonylbenzoate

Systemtic Name: [(2S)-1-oxidanylidene-1-(propan-2-ylamino)propan-2-yl] 3-(4-ethanoylpiperazin-1-yl)sulfonylbenzoate Openeye Name: [(1S)-2-(isopropylamino)-1-methyl-2-oxo-ethyl] 3-(4-acetylpiperazin-1-yl)sulfonylbenzoate CAS Name: 3-[(4-acetyl-1-piperazinyl)sulfonyl]benzoic acid [(2S)-1-oxo-1-(propan-2-ylamino)propan-2-yl] ester IUPAC Name: [(2S)-1-oxo-1-(propan-2-ylamino)propan-2-yl] 3-(4-acetylpiperazin-1-yl)sulfonylbenzoate Traditional Name: 3-(4-acetylpiperazino)sulfonylbenzoic acid [(1S)-2-(isopropylamino)-2-keto-1-methyl-ethyl] ester Formula: C19H27N3O6S MolecularWeight: 425.49918

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H27N3O6S/c1-13(2)20-18(24)14(3)28-19(25)16-6-5-7-17(12-16)29(26,27)22-10-8-21(9-11-22)15(4)23/h5-7,12-14H,8-11H2,1-4H3,(H,20,24)/t14-/m0/s1