2-chloranyl-N-[2-(diethylamino)-5-piperidin-1-ylsulfonyl-phenyl]-5-nitro-benzamide

Systemtic Name: 2-chloranyl-N-[2-(diethylamino)-5-piperidin-1-ylsulfonyl-phenyl]-5-nitro-benzamide Openeye Name: 2-chloro-N-[2-(diethylamino)-5-(1-piperidylsulfonyl)phenyl]-5-nitro-benzamide CAS Name: 2-chloro-N-[2-(diethylamino)-5-(1-piperidinylsulfonyl)phenyl]-5-nitrobenzamide IUPAC Name: 2-chloro-N-[2-(diethylamino)-5-piperidin-1-ylsulfonylphenyl]-5-nitrobenzamide Traditional Name: 2-chloro-N-[2-(diethylamino)-5-piperidinosulfonyl-phenyl]-5-nitro-benzamide Formula: C22H27ClN4O5S MolecularWeight: 494.99158

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C1=C(C=C(C=C1)S(=O)(=O)N2CCCCC2)NC(=O)C3=C(C=CC(=C3)[N+](=O)[O-])Cl

Isomeric SMILES

CCN(CC)C1=C(C=C(C=C1)S(=O)(=O)N2CCCCC2)NC(=O)C3=C(C=CC(=C3)[N+](=O)[O-])Cl

InChI

InChI=1S/C22H27ClN4O5S/c1-3-25(4-2)21-11-9-17(33(31,32)26-12-6-5-7-13-26)15-20(21)24-22(28)18-14-16(27(29)30)8-10-19(18)23/h8-11,14-15H,3-7,12-13H2,1-2H3,(H,24,28)