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

Systemtic Name: methyl 4-methyl-3-[[3-(3-oxidanylidenepiperazin-1-yl)sulfonylphenyl]sulfamoyl]benzoate Openeye Name: methyl 4-methyl-3-[[3-(3-oxopiperazin-1-yl)sulfonylphenyl]sulfamoyl]benzoate CAS Name: 4-methyl-3-[[3-[(3-oxo-1-piperazinyl)sulfonyl]phenyl]sulfamoyl]benzoic acid methyl ester IUPAC Name: methyl 4-methyl-3-[[3-(3-oxopiperazin-1-yl)sulfonylphenyl]sulfamoyl]benzoate Traditional Name: 3-[[3-(3-ketopiperazino)sulfonylphenyl]sulfamoyl]-4-methyl-benzoic acid methyl ester Formula: C19H21N3O7S2 MolecularWeight: 467.51594

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)OC)S(=O)(=O)NC2=CC(=CC=C2)S(=O)(=O)N3CCNC(=O)C3

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)OC)S(=O)(=O)NC2=CC(=CC=C2)S(=O)(=O)N3CCNC(=O)C3

InChI

InChI=1S/C19H21N3O7S2/c1-13-6-7-14(19(24)29-2)10-17(13)30(25,26)21-15-4-3-5-16(11-15)31(27,28)22-9-8-20-18(23)12-22/h3-7,10-11,21H,8-9,12H2,1-2H3,(H,20,23)