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

Systemtic Name: N-[3-(dimethylamino)propyl]-2-methylsulfonyl-N-(6-nitro-1,3-benzothiazol-2-yl)benzamide Openeye Name: N-[3-(dimethylamino)propyl]-2-methylsulfonyl-N-(6-nitro-1,3-benzothiazol-2-yl)benzamide CAS Name: N-[3-(dimethylamino)propyl]-2-methylsulfonyl-N-(6-nitro-1,3-benzothiazol-2-yl)benzamide IUPAC Name: N-[3-(dimethylamino)propyl]-2-methylsulfonyl-N-(6-nitro-1,3-benzothiazol-2-yl)benzamide Traditional Name: N-[3-(dimethylamino)propyl]-2-mesyl-N-(6-nitro-1,3-benzothiazol-2-yl)benzamide 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)C3=CC=CC=C3S(=O)(=O)C

Isomeric SMILES

CN(C)CCCN(C1=NC2=C(S1)C=C(C=C2)[N+](=O)[O-])C(=O)C3=CC=CC=C3S(=O)(=O)C

InChI

InChI=1S/C20H22N4O5S2/c1-22(2)11-6-12-23(19(25)15-7-4-5-8-18(15)31(3,28)29)20-21-16-10-9-14(24(26)27)13-17(16)30-20/h4-5,7-10,13H,6,11-12H2,1-3H3