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

Systemtic Name: methyl 4-chloranyl-3-[[3-(3-oxidanylidenepiperazin-1-yl)sulfonylphenyl]carbonylamino]benzoate Openeye Name: methyl 4-chloro-3-[[3-(3-oxopiperazin-1-yl)sulfonylbenzoyl]amino]benzoate CAS Name: 4-chloro-3-[[oxo-[3-[(3-oxo-1-piperazinyl)sulfonyl]phenyl]methyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-chloro-3-[[3-(3-oxopiperazin-1-yl)sulfonylbenzoyl]amino]benzoate Traditional Name: 4-chloro-3-[[3-(3-ketopiperazino)sulfonylbenzoyl]amino]benzoic acid methyl ester Formula: C19H18ClN3O6S MolecularWeight: 451.88072

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H18ClN3O6S/c1-29-19(26)13-5-6-15(20)16(10-13)22-18(25)12-3-2-4-14(9-12)30(27,28)23-8-7-21-17(24)11-23/h2-6,9-10H,7-8,11H2,1H3,(H,21,24)(H,22,25)