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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1CC1)OC(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCN(CC3)C(=O)C

Isomeric SMILES

C[C@H](C(=O)NC1CC1)OC(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCN(CC3)C(=O)C

InChI

InChI=1S/C19H25N3O6S/c1-13(18(24)20-16-6-7-16)28-19(25)15-4-3-5-17(12-15)29(26,27)22-10-8-21(9-11-22)14(2)23/h3-5,12-13,16H,6-11H2,1-2H3,(H,20,24)/t13-/m1/s1