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

Systemtic Name: 4-methyl-N-(4-methylsulfonyl-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ylethyl)-3-nitro-benzamide Openeye Name: 4-methyl-N-(4-methylsulfonyl-1,3-benzothiazol-2-yl)-N-(2-morpholinoethyl)-3-nitro-benzamide CAS Name: 4-methyl-N-(4-methylsulfonyl-1,3-benzothiazol-2-yl)-N-[2-(4-morpholinyl)ethyl]-3-nitrobenzamide IUPAC Name: 4-methyl-N-(4-methylsulfonyl-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ylethyl)-3-nitrobenzamide Traditional Name: N-(4-mesyl-1,3-benzothiazol-2-yl)-4-methyl-N-(2-morpholinoethyl)-3-nitro-benzamide Formula: C22H24N4O6S2 MolecularWeight: 504.57916

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)N(CCN2CCOCC2)C3=NC4=C(S3)C=CC=C4S(=O)(=O)C)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)N(CCN2CCOCC2)C3=NC4=C(S3)C=CC=C4S(=O)(=O)C)[N+](=O)[O-]

InChI

InChI=1S/C22H24N4O6S2/c1-15-6-7-16(14-17(15)26(28)29)21(27)25(9-8-24-10-12-32-13-11-24)22-23-20-18(33-22)4-3-5-19(20)34(2,30)31/h3-7,14H,8-13H2,1-2H3