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

Systemtic Name: [(2S)-1-(ethylamino)-1-oxidanylidene-propan-2-yl] 3-(4-ethanoylpiperazin-1-yl)sulfonylbenzoate Openeye Name: [(1S)-2-(ethylamino)-1-methyl-2-oxo-ethyl] 3-(4-acetylpiperazin-1-yl)sulfonylbenzoate CAS Name: 3-[(4-acetyl-1-piperazinyl)sulfonyl]benzoic acid [(2S)-1-(ethylamino)-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-(ethylamino)-1-oxopropan-2-yl] 3-(4-acetylpiperazin-1-yl)sulfonylbenzoate Traditional Name: 3-(4-acetylpiperazino)sulfonylbenzoic acid [(1S)-2-(ethylamino)-2-keto-1-methyl-ethyl] ester Formula: C18H25N3O6S MolecularWeight: 411.4726

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H25N3O6S/c1-4-19-17(23)13(2)27-18(24)15-6-5-7-16(12-15)28(25,26)21-10-8-20(9-11-21)14(3)22/h5-7,12-13H,4,8-11H2,1-3H3,(H,19,23)/t13-/m0/s1