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N-[3-(dimethylamino)propyl]-N-(6-nitro-1,3-benzothiazol-2-yl)-2-(phenylsulfonyl)ethanamide

N-[3-(dimethylamino)propyl]-N-(6-nitro-1,3-benzothiazol-2-yl)-2-(phenylsulfonyl)ethanamide

Systemtic Name:N-[3-(dimethylamino)propyl]-N-(6-nitro-1,3-benzothiazol-2-yl)-2-(phenylsulfonyl)ethanamide
Openeye Name:2-(benzenesulfonyl)-N-[3-(dimethylamino)propyl]-N-(6-nitro-1,3-benzothiazol-2-yl)acetamide
CAS Name:2-(benzenesulfonyl)-N-[3-(dimethylamino)propyl]-N-(6-nitro-1,3-benzothiazol-2-yl)acetamide
IUPAC Name:2-(benzenesulfonyl)-N-[3-(dimethylamino)propyl]-N-(6-nitro-1,3-benzothiazol-2-yl)acetamide
Traditional Name:2-besyl-N-[3-(dimethylamino)propyl]-N-(6-nitro-1,3-benzothiazol-2-yl)acetamide
Formula: C20H22N4O5S2
MolecularWeight: 462.54248
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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CCCN(C1=NC2=C(S1)C=C(C=C2)[N+](=O)[O-])C(=O)CS(=O)(=O)C3=CC=CC=C3


Isomeric SMILES

CN(C)CCCN(C1=NC2=C(S1)C=C(C=C2)[N+](=O)[O-])C(=O)CS(=O)(=O)C3=CC=CC=C3


InChI

InChI=1S/C20H22N4O5S2/c1-22(2)11-6-12-23(19(25)14-31(28,29)16-7-4-3-5-8-16)20-21-17-10-9-15(24(26)27)13-18(17)30-20/h3-5,7-10,13H,6,11-12,14H2,1-2H3


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