N-(2-dimethylaminoethyl)-4-methyl-N-(4-methylsulfonyl-1,3-benzothiazol-2-yl)-3-nitro-benzamide

Systemtic Name: N-(2-dimethylaminoethyl)-4-methyl-N-(4-methylsulfonyl-1,3-benzothiazol-2-yl)-3-nitro-benzamide Openeye Name: N-(2-dimethylaminoethyl)-4-methyl-N-(4-methylsulfonyl-1,3-benzothiazol-2-yl)-3-nitro-benzamide CAS Name: N-(2-dimethylaminoethyl)-4-methyl-N-(4-methylsulfonyl-1,3-benzothiazol-2-yl)-3-nitrobenzamide IUPAC Name: N-(2-dimethylaminoethyl)-4-methyl-N-(4-methylsulfonyl-1,3-benzothiazol-2-yl)-3-nitrobenzamide Traditional Name: N-(2-dimethylaminoethyl)-N-(4-mesyl-1,3-benzothiazol-2-yl)-4-methyl-3-nitro-benzamide Formula: C20H22N4O5S2 MolecularWeight: 462.54248

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)N(CCN(C)C)C2=NC3=C(S2)C=CC=C3S(=O)(=O)C)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)N(CCN(C)C)C2=NC3=C(S2)C=CC=C3S(=O)(=O)C)[N+](=O)[O-]

InChI

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