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

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

Systemtic Name:4-[1,3-benzothiazol-2-ylmethyl(methyl)amino]-N,N-diethyl-3-nitro-benzenesulfonamide
Openeye Name:4-[1,3-benzothiazol-2-ylmethyl(methyl)amino]-N,N-diethyl-3-nitro-benzenesulfonamide
CAS Name:4-[1,3-benzothiazol-2-ylmethyl(methyl)amino]-N,N-diethyl-3-nitrobenzenesulfonamide
IUPAC Name:4-[1,3-benzothiazol-2-ylmethyl(methyl)amino]-N,N-diethyl-3-nitrobenzenesulfonamide
Traditional Name:4-[1,3-benzothiazol-2-ylmethyl(methyl)amino]-N,N-diethyl-3-nitro-benzenesulfonamide
Formula: C19H22N4O4S2
MolecularWeight: 434.53238
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Descriptors Computed from Structure

Canonical SMILES:

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


Isomeric SMILES

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


InChI

InChI=1S/C19H22N4O4S2/c1-4-22(5-2)29(26,27)14-10-11-16(17(12-14)23(24)25)21(3)13-19-20-15-8-6-7-9-18(15)28-19/h6-12H,4-5,13H2,1-3H3


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