methyl 3-[[2-[(4-methylphenyl)sulfonylamino]-1,3-benzothiazol-5-yl]carbamoylamino]benzoate

Systemtic Name: methyl 3-[[2-[(4-methylphenyl)sulfonylamino]-1,3-benzothiazol-5-yl]carbamoylamino]benzoate Openeye Name: methyl 3-[[2-(p-tolylsulfonylamino)-1,3-benzothiazol-5-yl]carbamoylamino]benzoate CAS Name: 3-[[[[2-[(4-methylphenyl)sulfonylamino]-1,3-benzothiazol-5-yl]amino]-oxomethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 3-[[2-[(4-methylphenyl)sulfonylamino]-1,3-benzothiazol-5-yl]carbamoylamino]benzoate Traditional Name: 3-[[2-(tosylamino)-1,3-benzothiazol-5-yl]carbamoylamino]benzoic acid methyl ester Formula: C23H20N4O5S2 MolecularWeight: 496.5587

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NC2=NC3=C(S2)C=CC(=C3)NC(=O)NC4=CC=CC(=C4)C(=O)OC

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)NC2=NC3=C(S2)C=CC(=C3)NC(=O)NC4=CC=CC(=C4)C(=O)OC

InChI

InChI=1S/C23H20N4O5S2/c1-14-6-9-18(10-7-14)34(30,31)27-23-26-19-13-17(8-11-20(19)33-23)25-22(29)24-16-5-3-4-15(12-16)21(28)32-2/h3-13H,1-2H3,(H,26,27)(H2,24,25,29)