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

Systemtic Name: 4-[1,3-benzothiazol-2-ylmethyl(methyl)amino]-N-methyl-3-nitro-benzenesulfonamide Openeye Name: 4-[1,3-benzothiazol-2-ylmethyl(methyl)amino]-N-methyl-3-nitro-benzenesulfonamide CAS Name: 4-[1,3-benzothiazol-2-ylmethyl(methyl)amino]-N-methyl-3-nitrobenzenesulfonamide IUPAC Name: 4-[1,3-benzothiazol-2-ylmethyl(methyl)amino]-N-methyl-3-nitrobenzenesulfonamide Traditional Name: 4-[1,3-benzothiazol-2-ylmethyl(methyl)amino]-N-methyl-3-nitro-benzenesulfonamide Formula: C16H16N4O4S2 MolecularWeight: 392.45264

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Descriptors Computed from Structure

Canonical SMILES:

CNS(=O)(=O)C1=CC(=C(C=C1)N(C)CC2=NC3=CC=CC=C3S2)[N+](=O)[O-]

Isomeric SMILES

CNS(=O)(=O)C1=CC(=C(C=C1)N(C)CC2=NC3=CC=CC=C3S2)[N+](=O)[O-]

InChI

InChI=1S/C16H16N4O4S2/c1-17-26(23,24)11-7-8-13(14(9-11)20(21)22)19(2)10-16-18-12-5-3-4-6-15(12)25-16/h3-9,17H,10H2,1-2H3