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

Systemtic Name: N-(1,3-benzothiazol-2-yl)-4-methyl-3-nitro-benzenesulfonamide Openeye Name: N-(1,3-benzothiazol-2-yl)-4-methyl-3-nitro-benzenesulfonamide CAS Name: N-(1,3-benzothiazol-2-yl)-4-methyl-3-nitrobenzenesulfonamide IUPAC Name: N-(1,3-benzothiazol-2-yl)-4-methyl-3-nitrobenzenesulfonamide Traditional Name: N-(1,3-benzothiazol-2-yl)-4-methyl-3-nitro-benzenesulfonamide Formula: C14H11N3O4S2 MolecularWeight: 349.38484

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)NC2=NC3=CC=CC=C3S2)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)NC2=NC3=CC=CC=C3S2)[N+](=O)[O-]

InChI

InChI=1S/C14H11N3O4S2/c1-9-6-7-10(8-12(9)17(18)19)23(20,21)16-14-15-11-4-2-3-5-13(11)22-14/h2-8H,1H3,(H,15,16)