N-benzo[e][1,3]benzothiazol-2-yl-2-methyl-5-nitro-benzenesulfonamide

Systemtic Name: N-benzo[e][1,3]benzothiazol-2-yl-2-methyl-5-nitro-benzenesulfonamide Openeye Name: N-benzo[e][1,3]benzothiazol-2-yl-2-methyl-5-nitro-benzenesulfonamide CAS Name: N-(2-benzo[e][1,3]benzothiazolyl)-2-methyl-5-nitrobenzenesulfonamide IUPAC Name: N-benzo[e][1,3]benzothiazol-2-yl-2-methyl-5-nitrobenzenesulfonamide Traditional Name: N-benzo[e][1,3]benzothiazol-2-yl-2-methyl-5-nitro-benzenesulfonamide Formula: C18H13N3O4S2 MolecularWeight: 399.44352

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)NC2=NC3=C(S2)C=CC4=CC=CC=C43

Isomeric SMILES

CC1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)NC2=NC3=C(S2)C=CC4=CC=CC=C43

InChI

InChI=1S/C18H13N3O4S2/c1-11-6-8-13(21(22)23)10-16(11)27(24,25)20-18-19-17-14-5-3-2-4-12(14)7-9-15(17)26-18/h2-10H,1H3,(H,19,20)