N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-4-nitro-benzenesulfonamide

Systemtic Name: N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-4-nitro-benzenesulfonamide Openeye Name: N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-4-nitro-benzenesulfonamide CAS Name: N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-4-nitrobenzenesulfonamide IUPAC Name: N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-4-nitrobenzenesulfonamide Traditional Name: N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-4-nitro-benzenesulfonamide Formula: C15H13N3O4S2 MolecularWeight: 363.41142

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C2C(=C1)SC(=N2)NS(=O)(=O)C3=CC=C(C=C3)[N+](=O)[O-])C

Isomeric SMILES

CC1=CC(=C2C(=C1)SC(=N2)NS(=O)(=O)C3=CC=C(C=C3)[N+](=O)[O-])C

InChI

InChI=1S/C15H13N3O4S2/c1-9-7-10(2)14-13(8-9)23-15(16-14)17-24(21,22)12-5-3-11(4-6-12)18(19)20/h3-8H,1-2H3,(H,16,17)