methyl 3-[[2-(phenylsulfonylamino)-1,3-benzothiazol-5-yl]carbamoylamino]benzoate

Systemtic Name: methyl 3-[[2-(phenylsulfonylamino)-1,3-benzothiazol-5-yl]carbamoylamino]benzoate Openeye Name: methyl 3-[[2-(benzenesulfonamido)-1,3-benzothiazol-5-yl]carbamoylamino]benzoate CAS Name: 3-[[[[2-(benzenesulfonamido)-1,3-benzothiazol-5-yl]amino]-oxomethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 3-[[2-(benzenesulfonamido)-1,3-benzothiazol-5-yl]carbamoylamino]benzoate Traditional Name: 3-[[2-(benzenesulfonamido)-1,3-benzothiazol-5-yl]carbamoylamino]benzoic acid methyl ester Formula: C22H18N4O5S2 MolecularWeight: 482.53212

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC=C1)NC(=O)NC2=CC3=C(C=C2)SC(=N3)NS(=O)(=O)C4=CC=CC=C4

Isomeric SMILES

COC(=O)C1=CC(=CC=C1)NC(=O)NC2=CC3=C(C=C2)SC(=N3)NS(=O)(=O)C4=CC=CC=C4

InChI

InChI=1S/C22H18N4O5S2/c1-31-20(27)14-6-5-7-15(12-14)23-21(28)24-16-10-11-19-18(13-16)25-22(32-19)26-33(29,30)17-8-3-2-4-9-17/h2-13H,1H3,(H,25,26)(H2,23,24,28)