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

Systemtic Name: N-(4-methyl-2-piperidin-1-ylsulfonyl-phenyl)-2-[(6-nitro-1,3-benzothiazol-2-yl)sulfanyl]ethanamide Openeye Name: N-[4-methyl-2-(1-piperidylsulfonyl)phenyl]-2-[(6-nitro-1,3-benzothiazol-2-yl)sulfanyl]acetamide CAS Name: N-[4-methyl-2-(1-piperidinylsulfonyl)phenyl]-2-[(6-nitro-1,3-benzothiazol-2-yl)thio]acetamide IUPAC Name: N-(4-methyl-2-piperidin-1-ylsulfonylphenyl)-2-[(6-nitro-1,3-benzothiazol-2-yl)sulfanyl]acetamide Traditional Name: N-(4-methyl-2-piperidinosulfonyl-phenyl)-2-[(6-nitro-1,3-benzothiazol-2-yl)thio]acetamide Formula: C21H22N4O5S3 MolecularWeight: 506.61818

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)NC(=O)CSC2=NC3=C(S2)C=C(C=C3)[N+](=O)[O-])S(=O)(=O)N4CCCCC4

Isomeric SMILES

CC1=CC(=C(C=C1)NC(=O)CSC2=NC3=C(S2)C=C(C=C3)[N+](=O)[O-])S(=O)(=O)N4CCCCC4

InChI

InChI=1S/C21H22N4O5S3/c1-14-5-7-17(19(11-14)33(29,30)24-9-3-2-4-10-24)22-20(26)13-31-21-23-16-8-6-15(25(27)28)12-18(16)32-21/h5-8,11-12H,2-4,9-10,13H2,1H3,(H,22,26)