2-[3-(4-methoxyphenyl)sulfonylpropanoyl-(6-nitro-1,3-benzothiazol-2-yl)amino]ethyl-dimethyl-azanium

Systemtic Name: 2-[3-(4-methoxyphenyl)sulfonylpropanoyl-(6-nitro-1,3-benzothiazol-2-yl)amino]ethyl-dimethyl-azanium Openeye Name: 2-[3-(4-methoxyphenyl)sulfonylpropanoyl-(6-nitro-1,3-benzothiazol-2-yl)amino]ethyl-dimethyl-ammonium CAS Name: 2-[[3-(4-methoxyphenyl)sulfonyl-1-oxopropyl]-(6-nitro-1,3-benzothiazol-2-yl)amino]ethyl-dimethylammonium IUPAC Name: 2-[3-(4-methoxyphenyl)sulfonylpropanoyl-(6-nitro-1,3-benzothiazol-2-yl)amino]ethyl-dimethylazanium Traditional Name: 2-[3-(4-methoxyphenyl)sulfonylpropanoyl-(6-nitro-1,3-benzothiazol-2-yl)amino]ethyl-dimethyl-ammonium Formula: C21H25N4O6S2+ MolecularWeight: 493.5764

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CCN(C1=NC2=C(S1)C=C(C=C2)[N+](=O)[O-])C(=O)CCS(=O)(=O)C3=CC=C(C=C3)OC

Isomeric SMILES

C[NH+](C)CCN(C1=NC2=C(S1)C=C(C=C2)[N+](=O)[O-])C(=O)CCS(=O)(=O)C3=CC=C(C=C3)OC

InChI

InChI=1S/C21H24N4O6S2/c1-23(2)11-12-24(21-22-18-9-4-15(25(27)28)14-19(18)32-21)20(26)10-13-33(29,30)17-7-5-16(31-3)6-8-17/h4-9,14H,10-13H2,1-3H3/p+1