dimethyl 5-[[3-(3-oxidanylidenepiperazin-1-yl)sulfonylphenyl]carbonylamino]benzene-1,3-dicarboxylate

Systemtic Name: dimethyl 5-[[3-(3-oxidanylidenepiperazin-1-yl)sulfonylphenyl]carbonylamino]benzene-1,3-dicarboxylate Openeye Name: dimethyl 5-[[3-(3-oxopiperazin-1-yl)sulfonylbenzoyl]amino]benzene-1,3-dicarboxylate CAS Name: 5-[[oxo-[3-[(3-oxo-1-piperazinyl)sulfonyl]phenyl]methyl]amino]benzene-1,3-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 5-[[3-(3-oxopiperazin-1-yl)sulfonylbenzoyl]amino]benzene-1,3-dicarboxylate Traditional Name: 5-[[3-(3-ketopiperazino)sulfonylbenzoyl]amino]benzene-1,3-dicarboxylic acid dimethyl ester Formula: C21H21N3O8S MolecularWeight: 475.47174

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H21N3O8S/c1-31-20(27)14-8-15(21(28)32-2)10-16(9-14)23-19(26)13-4-3-5-17(11-13)33(29,30)24-7-6-22-18(25)12-24/h3-5,8-11H,6-7,12H2,1-2H3,(H,22,25)(H,23,26)