N-(4-ethoxy-3-pyrrolidin-1-ylsulfonyl-phenyl)-3-(5-methyl-2-nitro-phenoxy)propanamide

Systemtic Name: N-(4-ethoxy-3-pyrrolidin-1-ylsulfonyl-phenyl)-3-(5-methyl-2-nitro-phenoxy)propanamide Openeye Name: N-(4-ethoxy-3-pyrrolidin-1-ylsulfonyl-phenyl)-3-(5-methyl-2-nitro-phenoxy)propanamide CAS Name: N-[4-ethoxy-3-(1-pyrrolidinylsulfonyl)phenyl]-3-(5-methyl-2-nitrophenoxy)propanamide IUPAC Name: N-(4-ethoxy-3-pyrrolidin-1-ylsulfonylphenyl)-3-(5-methyl-2-nitrophenoxy)propanamide Traditional Name: N-(4-ethoxy-3-pyrrolidinosulfonyl-phenyl)-3-(5-methyl-2-nitro-phenoxy)propionamide Formula: C22H27N3O7S MolecularWeight: 477.53068

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)NC(=O)CCOC2=C(C=CC(=C2)C)[N+](=O)[O-])S(=O)(=O)N3CCCC3

Isomeric SMILES

CCOC1=C(C=C(C=C1)NC(=O)CCOC2=C(C=CC(=C2)C)[N+](=O)[O-])S(=O)(=O)N3CCCC3

InChI

InChI=1S/C22H27N3O7S/c1-3-31-19-9-7-17(15-21(19)33(29,30)24-11-4-5-12-24)23-22(26)10-13-32-20-14-16(2)6-8-18(20)25(27)28/h6-9,14-15H,3-5,10-13H2,1-2H3,(H,23,26)