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

Systemtic Name: [2-(dimethylamino)-2-oxidanylidene-ethyl] 4-(4-ethanoylpiperazin-1-yl)sulfonylbenzoate Openeye Name: [2-(dimethylamino)-2-oxo-ethyl] 4-(4-acetylpiperazin-1-yl)sulfonylbenzoate CAS Name: 4-[(4-acetyl-1-piperazinyl)sulfonyl]benzoic acid [2-(dimethylamino)-2-oxoethyl] ester IUPAC Name: [2-(dimethylamino)-2-oxoethyl] 4-(4-acetylpiperazin-1-yl)sulfonylbenzoate Traditional Name: 4-(4-acetylpiperazino)sulfonylbenzoic acid [2-(dimethylamino)-2-keto-ethyl] ester Formula: C17H23N3O6S MolecularWeight: 397.44602

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H23N3O6S/c1-13(21)19-8-10-20(11-9-19)27(24,25)15-6-4-14(5-7-15)17(23)26-12-16(22)18(2)3/h4-7H,8-12H2,1-3H3