N-[[3-methoxy-4-(oxolan-2-ylmethoxy)phenyl]methyl]-2-(4-nitrophenyl)sulfanyl-propanamide

Systemtic Name: N-[[3-methoxy-4-(oxolan-2-ylmethoxy)phenyl]methyl]-2-(4-nitrophenyl)sulfanyl-propanamide Openeye Name: N-[[3-methoxy-4-(tetrahydrofuran-2-ylmethoxy)phenyl]methyl]-2-(4-nitrophenyl)sulfanyl-propanamide CAS Name: N-[[3-methoxy-4-(2-oxolanylmethoxy)phenyl]methyl]-2-[(4-nitrophenyl)thio]propanamide IUPAC Name: N-[[3-methoxy-4-(oxolan-2-ylmethoxy)phenyl]methyl]-2-(4-nitrophenyl)sulfanylpropanamide Traditional Name: N-[3-methoxy-4-(tetrahydrofurfuryloxy)benzyl]-2-[(4-nitrophenyl)thio]propionamide Formula: C22H26N2O6S MolecularWeight: 446.51664

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCC1=CC(=C(C=C1)OCC2CCCO2)OC)SC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CC(C(=O)NCC1=CC(=C(C=C1)OCC2CCCO2)OC)SC3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C22H26N2O6S/c1-15(31-19-8-6-17(7-9-19)24(26)27)22(25)23-13-16-5-10-20(21(12-16)28-2)30-14-18-4-3-11-29-18/h5-10,12,15,18H,3-4,11,13-14H2,1-2H3,(H,23,25)