2-(4-chloranyl-3-nitro-phenyl)carbonyl-N-(6-piperidin-1-ylsulfonyl-1,3-benzothiazol-2-yl)benzamide

Systemtic Name: 2-(4-chloranyl-3-nitro-phenyl)carbonyl-N-(6-piperidin-1-ylsulfonyl-1,3-benzothiazol-2-yl)benzamide Openeye Name: 2-(4-chloro-3-nitro-benzoyl)-N-[6-(1-piperidylsulfonyl)-1,3-benzothiazol-2-yl]benzamide CAS Name: 2-[(4-chloro-3-nitrophenyl)-oxomethyl]-N-[6-(1-piperidinylsulfonyl)-1,3-benzothiazol-2-yl]benzamide IUPAC Name: 2-(4-chloro-3-nitrobenzoyl)-N-(6-piperidin-1-ylsulfonyl-1,3-benzothiazol-2-yl)benzamide Traditional Name: 2-(4-chloro-3-nitro-benzoyl)-N-(6-piperidinosulfonyl-1,3-benzothiazol-2-yl)benzamide Formula: C26H21ClN4O6S2 MolecularWeight: 585.05114

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)S(=O)(=O)C2=CC3=C(C=C2)N=C(S3)NC(=O)C4=CC=CC=C4C(=O)C5=CC(=C(C=C5)Cl)[N+](=O)[O-]

Isomeric SMILES

C1CCN(CC1)S(=O)(=O)C2=CC3=C(C=C2)N=C(S3)NC(=O)C4=CC=CC=C4C(=O)C5=CC(=C(C=C5)Cl)[N+](=O)[O-]

InChI

InChI=1S/C26H21ClN4O6S2/c27-20-10-8-16(14-22(20)31(34)35)24(32)18-6-2-3-7-19(18)25(33)29-26-28-21-11-9-17(15-23(21)38-26)39(36,37)30-12-4-1-5-13-30/h2-3,6-11,14-15H,1,4-5,12-13H2,(H,28,29,33)