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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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