N-(4-methyl-3-morpholin-4-ylsulfonyl-phenyl)-2-[(6-nitro-1,3-benzothiazol-2-yl)sulfanyl]ethanamide

Systemtic Name: N-(4-methyl-3-morpholin-4-ylsulfonyl-phenyl)-2-[(6-nitro-1,3-benzothiazol-2-yl)sulfanyl]ethanamide Openeye Name: N-(4-methyl-3-morpholinosulfonyl-phenyl)-2-[(6-nitro-1,3-benzothiazol-2-yl)sulfanyl]acetamide CAS Name: N-[4-methyl-3-(4-morpholinylsulfonyl)phenyl]-2-[(6-nitro-1,3-benzothiazol-2-yl)thio]acetamide IUPAC Name: N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)-2-[(6-nitro-1,3-benzothiazol-2-yl)sulfanyl]acetamide Traditional Name: N-(4-methyl-3-morpholinosulfonyl-phenyl)-2-[(6-nitro-1,3-benzothiazol-2-yl)thio]acetamide Formula: C20H20N4O6S3 MolecularWeight: 508.591

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)CSC2=NC3=C(S2)C=C(C=C3)[N+](=O)[O-])S(=O)(=O)N4CCOCC4

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)CSC2=NC3=C(S2)C=C(C=C3)[N+](=O)[O-])S(=O)(=O)N4CCOCC4

InChI

InChI=1S/C20H20N4O6S3/c1-13-2-3-14(10-18(13)33(28,29)23-6-8-30-9-7-23)21-19(25)12-31-20-22-16-5-4-15(24(26)27)11-17(16)32-20/h2-5,10-11H,6-9,12H2,1H3,(H,21,25)