N-(2-dimethylaminoethyl)-2-ethylsulfonyl-N-(6-nitro-1,3-benzothiazol-2-yl)benzamide

Systemtic Name: N-(2-dimethylaminoethyl)-2-ethylsulfonyl-N-(6-nitro-1,3-benzothiazol-2-yl)benzamide Openeye Name: N-(2-dimethylaminoethyl)-2-ethylsulfonyl-N-(6-nitro-1,3-benzothiazol-2-yl)benzamide CAS Name: N-(2-dimethylaminoethyl)-2-ethylsulfonyl-N-(6-nitro-1,3-benzothiazol-2-yl)benzamide IUPAC Name: N-(2-dimethylaminoethyl)-2-ethylsulfonyl-N-(6-nitro-1,3-benzothiazol-2-yl)benzamide Traditional Name: N-(2-dimethylaminoethyl)-2-esyl-N-(6-nitro-1,3-benzothiazol-2-yl)benzamide Formula: C20H22N4O5S2 MolecularWeight: 462.54248

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)C1=CC=CC=C1C(=O)N(CCN(C)C)C2=NC3=C(S2)C=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CCS(=O)(=O)C1=CC=CC=C1C(=O)N(CCN(C)C)C2=NC3=C(S2)C=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C20H22N4O5S2/c1-4-31(28,29)18-8-6-5-7-15(18)19(25)23(12-11-22(2)3)20-21-16-10-9-14(24(26)27)13-17(16)30-20/h5-10,13H,4,11-12H2,1-3H3