[3-[[1,1-bis(oxidanylidene)-1,2-benzothiazol-3-yl]amino]phenyl] 4-sulfamoylbenzoate

Systemtic Name: [3-[[1,1-bis(oxidanylidene)-1,2-benzothiazol-3-yl]amino]phenyl] 4-sulfamoylbenzoate Openeye Name: [3-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]phenyl] 4-sulfamoylbenzoate CAS Name: 4-sulfamoylbenzoic acid [3-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]phenyl] ester IUPAC Name: [3-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]phenyl] 4-sulfamoylbenzoate Traditional Name: 4-sulfamoylbenzoic acid [3-[(1,1-diketo-1,2-benzothiazol-3-yl)amino]phenyl] ester Formula: C20H15N3O6S2 MolecularWeight: 457.4796

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=NS2(=O)=O)NC3=CC(=CC=C3)OC(=O)C4=CC=C(C=C4)S(=O)(=O)N

Isomeric SMILES

C1=CC=C2C(=C1)C(=NS2(=O)=O)NC3=CC(=CC=C3)OC(=O)C4=CC=C(C=C4)S(=O)(=O)N

InChI

InChI=1S/C20H15N3O6S2/c21-30(25,26)16-10-8-13(9-11-16)20(24)29-15-5-3-4-14(12-15)22-19-17-6-1-2-7-18(17)31(27,28)23-19/h1-12H,(H,22,23)(H2,21,25,26)