N-(4-chloranyl-3-piperidin-1-ylsulfonyl-phenyl)-2-(2-methoxyethylamino)-5-nitro-benzamide

Systemtic Name: N-(4-chloranyl-3-piperidin-1-ylsulfonyl-phenyl)-2-(2-methoxyethylamino)-5-nitro-benzamide Openeye Name: N-[4-chloro-3-(1-piperidylsulfonyl)phenyl]-2-(2-methoxyethylamino)-5-nitro-benzamide CAS Name: N-[4-chloro-3-(1-piperidinylsulfonyl)phenyl]-2-(2-methoxyethylamino)-5-nitrobenzamide IUPAC Name: N-(4-chloro-3-piperidin-1-ylsulfonylphenyl)-2-(2-methoxyethylamino)-5-nitrobenzamide Traditional Name: N-(4-chloro-3-piperidinosulfonyl-phenyl)-2-(2-methoxyethylamino)-5-nitro-benzamide Formula: C21H25ClN4O6S MolecularWeight: 496.9644

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Descriptors Computed from Structure

Canonical SMILES:

COCCNC1=C(C=C(C=C1)[N+](=O)[O-])C(=O)NC2=CC(=C(C=C2)Cl)S(=O)(=O)N3CCCCC3

Isomeric SMILES

COCCNC1=C(C=C(C=C1)[N+](=O)[O-])C(=O)NC2=CC(=C(C=C2)Cl)S(=O)(=O)N3CCCCC3

InChI

InChI=1S/C21H25ClN4O6S/c1-32-12-9-23-19-8-6-16(26(28)29)14-17(19)21(27)24-15-5-7-18(22)20(13-15)33(30,31)25-10-3-2-4-11-25/h5-8,13-14,23H,2-4,9-12H2,1H3,(H,24,27)