N-(2-ethoxy-5-piperidin-1-ylsulfonyl-phenyl)-2-(methylamino)-5-nitro-benzamide

Systemtic Name: N-(2-ethoxy-5-piperidin-1-ylsulfonyl-phenyl)-2-(methylamino)-5-nitro-benzamide Openeye Name: N-[2-ethoxy-5-(1-piperidylsulfonyl)phenyl]-2-(methylamino)-5-nitro-benzamide CAS Name: N-[2-ethoxy-5-(1-piperidinylsulfonyl)phenyl]-2-(methylamino)-5-nitrobenzamide IUPAC Name: N-(2-ethoxy-5-piperidin-1-ylsulfonylphenyl)-2-(methylamino)-5-nitrobenzamide Traditional Name: N-(2-ethoxy-5-piperidinosulfonyl-phenyl)-2-(methylamino)-5-nitro-benzamide Formula: C21H26N4O6S MolecularWeight: 462.51934

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)S(=O)(=O)N2CCCCC2)NC(=O)C3=C(C=CC(=C3)[N+](=O)[O-])NC

Isomeric SMILES

CCOC1=C(C=C(C=C1)S(=O)(=O)N2CCCCC2)NC(=O)C3=C(C=CC(=C3)[N+](=O)[O-])NC

InChI

InChI=1S/C21H26N4O6S/c1-3-31-20-10-8-16(32(29,30)24-11-5-4-6-12-24)14-19(20)23-21(26)17-13-15(25(27)28)7-9-18(17)22-2/h7-10,13-14,22H,3-6,11-12H2,1-2H3,(H,23,26)