methyl 4-[[3-(3-oxidanylidenepiperazin-1-yl)sulfonylphenyl]carbonylamino]benzoate

Systemtic Name: methyl 4-[[3-(3-oxidanylidenepiperazin-1-yl)sulfonylphenyl]carbonylamino]benzoate Openeye Name: methyl 4-[[3-(3-oxopiperazin-1-yl)sulfonylbenzoyl]amino]benzoate CAS Name: 4-[[oxo-[3-[(3-oxo-1-piperazinyl)sulfonyl]phenyl]methyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[[3-(3-oxopiperazin-1-yl)sulfonylbenzoyl]amino]benzoate Traditional Name: 4-[[3-(3-ketopiperazino)sulfonylbenzoyl]amino]benzoic acid methyl ester Formula: C19H19N3O6S MolecularWeight: 417.43566

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)NC(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCNC(=O)C3

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)NC(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCNC(=O)C3

InChI

InChI=1S/C19H19N3O6S/c1-28-19(25)13-5-7-15(8-6-13)21-18(24)14-3-2-4-16(11-14)29(26,27)22-10-9-20-17(23)12-22/h2-8,11H,9-10,12H2,1H3,(H,20,23)(H,21,24)