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

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

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=NC2=CC=CC=C2S1)S(=O)(=O)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CN(CC1=NC2=CC=CC=C2S1)S(=O)(=O)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C15H13N3O4S2/c1-17(10-15-16-13-4-2-3-5-14(13)23-15)24(21,22)12-8-6-11(7-9-12)18(19)20/h2-9H,10H2,1H3