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

Systemtic Name: [2-(cyclopropylamino)-2-oxidanylidene-ethyl] 3-(4-ethanoylpiperazin-1-yl)sulfonylbenzoate Openeye Name: [2-(cyclopropylamino)-2-oxo-ethyl] 3-(4-acetylpiperazin-1-yl)sulfonylbenzoate CAS Name: 3-[(4-acetyl-1-piperazinyl)sulfonyl]benzoic acid [2-(cyclopropylamino)-2-oxoethyl] ester IUPAC Name: [2-(cyclopropylamino)-2-oxoethyl] 3-(4-acetylpiperazin-1-yl)sulfonylbenzoate Traditional Name: 3-(4-acetylpiperazino)sulfonylbenzoic acid [2-(cyclopropylamino)-2-keto-ethyl] ester Formula: C18H23N3O6S MolecularWeight: 409.45672

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CCN(CC1)S(=O)(=O)C2=CC=CC(=C2)C(=O)OCC(=O)NC3CC3

Isomeric SMILES

CC(=O)N1CCN(CC1)S(=O)(=O)C2=CC=CC(=C2)C(=O)OCC(=O)NC3CC3

InChI

InChI=1S/C18H23N3O6S/c1-13(22)20-7-9-21(10-8-20)28(25,26)16-4-2-3-14(11-16)18(24)27-12-17(23)19-15-5-6-15/h2-4,11,15H,5-10,12H2,1H3,(H,19,23)