ethyl 4-[[3-(4-ethanoylpiperazin-1-yl)sulfonylphenyl]carbonylamino]benzoate

Systemtic Name: ethyl 4-[[3-(4-ethanoylpiperazin-1-yl)sulfonylphenyl]carbonylamino]benzoate Openeye Name: ethyl 4-[[3-(4-acetylpiperazin-1-yl)sulfonylbenzoyl]amino]benzoate CAS Name: 4-[[[3-[(4-acetyl-1-piperazinyl)sulfonyl]phenyl]-oxomethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[3-(4-acetylpiperazin-1-yl)sulfonylbenzoyl]amino]benzoate Traditional Name: 4-[[3-(4-acetylpiperazino)sulfonylbenzoyl]amino]benzoic acid ethyl ester Formula: C22H25N3O6S MolecularWeight: 459.5154

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCN(CC3)C(=O)C

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCN(CC3)C(=O)C

InChI

InChI=1S/C22H25N3O6S/c1-3-31-22(28)17-7-9-19(10-8-17)23-21(27)18-5-4-6-20(15-18)32(29,30)25-13-11-24(12-14-25)16(2)26/h4-10,15H,3,11-14H2,1-2H3,(H,23,27)