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

Systemtic Name: [4-[[1,1-bis(oxidanylidene)-1,2-benzothiazol-3-yl]-methyl-amino]phenyl] 4-bromanylbenzoate Openeye Name: [4-[(1,1-dioxo-1,2-benzothiazol-3-yl)-methyl-amino]phenyl] 4-bromobenzoate CAS Name: 4-bromobenzoic acid [4-[(1,1-dioxo-1,2-benzothiazol-3-yl)-methylamino]phenyl] ester IUPAC Name: [4-[(1,1-dioxo-1,2-benzothiazol-3-yl)-methylamino]phenyl] 4-bromobenzoate Traditional Name: 4-bromobenzoic acid [4-[(1,1-diketo-1,2-benzothiazol-3-yl)-methyl-amino]phenyl] ester Formula: C21H15BrN2O4S MolecularWeight: 471.3238

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Descriptors Computed from Structure

Canonical SMILES:

CN(C1=CC=C(C=C1)OC(=O)C2=CC=C(C=C2)Br)C3=NS(=O)(=O)C4=CC=CC=C43

Isomeric SMILES

CN(C1=CC=C(C=C1)OC(=O)C2=CC=C(C=C2)Br)C3=NS(=O)(=O)C4=CC=CC=C43

InChI

InChI=1S/C21H15BrN2O4S/c1-24(20-18-4-2-3-5-19(18)29(26,27)23-20)16-10-12-17(13-11-16)28-21(25)14-6-8-15(22)9-7-14/h2-13H,1H3