N-(4-methoxy-3-piperidin-1-ylsulfonyl-phenyl)-2-(methylamino)-5-nitro-benzamide

Systemtic Name: N-(4-methoxy-3-piperidin-1-ylsulfonyl-phenyl)-2-(methylamino)-5-nitro-benzamide Openeye Name: N-[4-methoxy-3-(1-piperidylsulfonyl)phenyl]-2-(methylamino)-5-nitro-benzamide CAS Name: N-[4-methoxy-3-(1-piperidinylsulfonyl)phenyl]-2-(methylamino)-5-nitrobenzamide IUPAC Name: N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)-2-(methylamino)-5-nitrobenzamide Traditional Name: N-(4-methoxy-3-piperidinosulfonyl-phenyl)-2-(methylamino)-5-nitro-benzamide Formula: C20H24N4O6S MolecularWeight: 448.49276

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Descriptors Computed from Structure

Canonical SMILES:

CNC1=C(C=C(C=C1)[N+](=O)[O-])C(=O)NC2=CC(=C(C=C2)OC)S(=O)(=O)N3CCCCC3

Isomeric SMILES

CNC1=C(C=C(C=C1)[N+](=O)[O-])C(=O)NC2=CC(=C(C=C2)OC)S(=O)(=O)N3CCCCC3

InChI

InChI=1S/C20H24N4O6S/c1-21-17-8-7-15(24(26)27)13-16(17)20(25)22-14-6-9-18(30-2)19(12-14)31(28,29)23-10-4-3-5-11-23/h6-9,12-13,21H,3-5,10-11H2,1-2H3,(H,22,25)