2-[[1,1-bis(oxidanylidene)-1,2-benzothiazol-3-yl]amino]ethyl 2,4-dimethylbenzenesulfonate

Systemtic Name: 2-[[1,1-bis(oxidanylidene)-1,2-benzothiazol-3-yl]amino]ethyl 2,4-dimethylbenzenesulfonate Openeye Name: 2-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]ethyl 2,4-dimethylbenzenesulfonate CAS Name: 2,4-dimethylbenzenesulfonic acid 2-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]ethyl ester IUPAC Name: 2-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]ethyl 2,4-dimethylbenzenesulfonate Traditional Name: 2,4-dimethylbenzenesulfonic acid 2-[(1,1-diketo-1,2-benzothiazol-3-yl)amino]ethyl ester Formula: C17H18N2O5S2 MolecularWeight: 394.46522

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)S(=O)(=O)OCCNC2=NS(=O)(=O)C3=CC=CC=C32)C

Isomeric SMILES

CC1=CC(=C(C=C1)S(=O)(=O)OCCNC2=NS(=O)(=O)C3=CC=CC=C32)C

InChI

InChI=1S/C17H18N2O5S2/c1-12-7-8-15(13(2)11-12)26(22,23)24-10-9-18-17-14-5-3-4-6-16(14)25(20,21)19-17/h3-8,11H,9-10H2,1-2H3,(H,18,19)