[(1R)-1-cyanoethyl] 3-(4-ethanoylpiperazin-1-yl)sulfonylbenzoate

Systemtic Name: [(1R)-1-cyanoethyl] 3-(4-ethanoylpiperazin-1-yl)sulfonylbenzoate Openeye Name: [(1R)-1-cyanoethyl] 3-(4-acetylpiperazin-1-yl)sulfonylbenzoate CAS Name: 3-[(4-acetyl-1-piperazinyl)sulfonyl]benzoic acid [(1R)-1-cyanoethyl] ester IUPAC Name: [(1R)-1-cyanoethyl] 3-(4-acetylpiperazin-1-yl)sulfonylbenzoate Traditional Name: 3-(4-acetylpiperazino)sulfonylbenzoic acid [(1R)-1-cyanoethyl] ester Formula: C16H19N3O5S MolecularWeight: 365.40416

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Descriptors Computed from Structure

Canonical SMILES:

CC(C#N)OC(=O)C1=CC(=CC=C1)S(=O)(=O)N2CCN(CC2)C(=O)C

Isomeric SMILES

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

InChI

InChI=1S/C16H19N3O5S/c1-12(11-17)24-16(21)14-4-3-5-15(10-14)25(22,23)19-8-6-18(7-9-19)13(2)20/h3-5,10,12H,6-9H2,1-2H3/t12-/m1/s1