N-(2-ethoxy-5-piperidin-1-ylsulfonyl-phenyl)-2-(2-nitrophenyl)ethanamide

Systemtic Name: N-(2-ethoxy-5-piperidin-1-ylsulfonyl-phenyl)-2-(2-nitrophenyl)ethanamide Openeye Name: N-[2-ethoxy-5-(1-piperidylsulfonyl)phenyl]-2-(2-nitrophenyl)acetamide CAS Name: N-[2-ethoxy-5-(1-piperidinylsulfonyl)phenyl]-2-(2-nitrophenyl)acetamide IUPAC Name: N-(2-ethoxy-5-piperidin-1-ylsulfonylphenyl)-2-(2-nitrophenyl)acetamide Traditional Name: N-(2-ethoxy-5-piperidinosulfonyl-phenyl)-2-(2-nitrophenyl)acetamide Formula: C21H25N3O6S MolecularWeight: 447.5047

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)S(=O)(=O)N2CCCCC2)NC(=O)CC3=CC=CC=C3[N+](=O)[O-]

Isomeric SMILES

CCOC1=C(C=C(C=C1)S(=O)(=O)N2CCCCC2)NC(=O)CC3=CC=CC=C3[N+](=O)[O-]

InChI

InChI=1S/C21H25N3O6S/c1-2-30-20-11-10-17(31(28,29)23-12-6-3-7-13-23)15-18(20)22-21(25)14-16-8-4-5-9-19(16)24(26)27/h4-5,8-11,15H,2-3,6-7,12-14H2,1H3,(H,22,25)