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

Systemtic Name: N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-4-methoxy-3-nitro-benzenesulfonamide Openeye Name: N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-4-methoxy-3-nitro-benzenesulfonamide CAS Name: N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-4-methoxy-3-nitrobenzenesulfonamide IUPAC Name: N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-4-methoxy-3-nitrobenzenesulfonamide Traditional Name: N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-4-methoxy-3-nitro-benzenesulfonamide Formula: C16H15N3O5S2 MolecularWeight: 393.4374

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H15N3O5S2/c1-9-6-10(2)15-14(7-9)25-16(17-15)18-26(22,23)11-4-5-13(24-3)12(8-11)19(20)21/h4-8H,1-3H3,(H,17,18)