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

Systemtic Name: methyl 4-methyl-3-[[3-(3-oxidanylidenepiperazin-1-yl)sulfonylphenyl]carbonylamino]benzoate Openeye Name: methyl 4-methyl-3-[[3-(3-oxopiperazin-1-yl)sulfonylbenzoyl]amino]benzoate CAS Name: 4-methyl-3-[[oxo-[3-[(3-oxo-1-piperazinyl)sulfonyl]phenyl]methyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-methyl-3-[[3-(3-oxopiperazin-1-yl)sulfonylbenzoyl]amino]benzoate Traditional Name: 3-[[3-(3-ketopiperazino)sulfonylbenzoyl]amino]-4-methyl-benzoic acid methyl ester Formula: C20H21N3O6S MolecularWeight: 431.46224

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H21N3O6S/c1-13-6-7-15(20(26)29-2)11-17(13)22-19(25)14-4-3-5-16(10-14)30(27,28)23-9-8-21-18(24)12-23/h3-7,10-11H,8-9,12H2,1-2H3,(H,21,24)(H,22,25)