N-(3-nitrophenyl)-2-[(6-piperidin-1-ylsulfonyl-1,3-benzothiazol-2-yl)sulfanyl]ethanamide

Systemtic Name: N-(3-nitrophenyl)-2-[(6-piperidin-1-ylsulfonyl-1,3-benzothiazol-2-yl)sulfanyl]ethanamide Openeye Name: N-(3-nitrophenyl)-2-[[6-(1-piperidylsulfonyl)-1,3-benzothiazol-2-yl]sulfanyl]acetamide CAS Name: N-(3-nitrophenyl)-2-[[6-(1-piperidinylsulfonyl)-1,3-benzothiazol-2-yl]thio]acetamide IUPAC Name: N-(3-nitrophenyl)-2-[(6-piperidin-1-ylsulfonyl-1,3-benzothiazol-2-yl)sulfanyl]acetamide Traditional Name: N-(3-nitrophenyl)-2-[(6-piperidinosulfonyl-1,3-benzothiazol-2-yl)thio]acetamide Formula: C20H20N4O5S3 MolecularWeight: 492.5916

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)S(=O)(=O)C2=CC3=C(C=C2)N=C(S3)SCC(=O)NC4=CC(=CC=C4)[N+](=O)[O-]

Isomeric SMILES

C1CCN(CC1)S(=O)(=O)C2=CC3=C(C=C2)N=C(S3)SCC(=O)NC4=CC(=CC=C4)[N+](=O)[O-]

InChI

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