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

Systemtic Name: N-(3-morpholin-4-ylsulfonylphenyl)-2-[(6-nitro-1,3-benzothiazol-2-yl)sulfanyl]ethanamide Openeye Name: N-(3-morpholinosulfonylphenyl)-2-[(6-nitro-1,3-benzothiazol-2-yl)sulfanyl]acetamide CAS Name: N-[3-(4-morpholinylsulfonyl)phenyl]-2-[(6-nitro-1,3-benzothiazol-2-yl)thio]acetamide IUPAC Name: N-(3-morpholin-4-ylsulfonylphenyl)-2-[(6-nitro-1,3-benzothiazol-2-yl)sulfanyl]acetamide Traditional Name: N-(3-morpholinosulfonylphenyl)-2-[(6-nitro-1,3-benzothiazol-2-yl)thio]acetamide Formula: C19H18N4O6S3 MolecularWeight: 494.56442

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1S(=O)(=O)C2=CC=CC(=C2)NC(=O)CSC3=NC4=C(S3)C=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

C1COCCN1S(=O)(=O)C2=CC=CC(=C2)NC(=O)CSC3=NC4=C(S3)C=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C19H18N4O6S3/c24-18(12-30-19-21-16-5-4-14(23(25)26)11-17(16)31-19)20-13-2-1-3-15(10-13)32(27,28)22-6-8-29-9-7-22/h1-5,10-11H,6-9,12H2,(H,20,24)