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

Systemtic Name: 2-[(6-nitro-1,3-benzothiazol-2-yl)sulfanyl]-N-(4-piperidin-1-ylsulfonylphenyl)ethanamide Openeye Name: 2-[(6-nitro-1,3-benzothiazol-2-yl)sulfanyl]-N-[4-(1-piperidylsulfonyl)phenyl]acetamide CAS Name: 2-[(6-nitro-1,3-benzothiazol-2-yl)thio]-N-[4-(1-piperidinylsulfonyl)phenyl]acetamide IUPAC Name: 2-[(6-nitro-1,3-benzothiazol-2-yl)sulfanyl]-N-(4-piperidin-1-ylsulfonylphenyl)acetamide Traditional Name: 2-[(6-nitro-1,3-benzothiazol-2-yl)thio]-N-(4-piperidinosulfonylphenyl)acetamide Formula: C20H20N4O5S3 MolecularWeight: 492.5916

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)CSC3=NC4=C(S3)C=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

C1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)CSC3=NC4=C(S3)C=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C20H20N4O5S3/c25-19(13-30-20-22-17-9-6-15(24(26)27)12-18(17)31-20)21-14-4-7-16(8-5-14)32(28,29)23-10-2-1-3-11-23/h4-9,12H,1-3,10-11,13H2,(H,21,25)