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

Systemtic Name: 2-(4-nitrophenyl)sulfanyl-N-[[4-(oxolan-2-ylmethoxy)phenyl]methyl]propanamide Openeye Name: 2-(4-nitrophenyl)sulfanyl-N-[[4-(tetrahydrofuran-2-ylmethoxy)phenyl]methyl]propanamide CAS Name: 2-[(4-nitrophenyl)thio]-N-[[4-(2-oxolanylmethoxy)phenyl]methyl]propanamide IUPAC Name: 2-(4-nitrophenyl)sulfanyl-N-[[4-(oxolan-2-ylmethoxy)phenyl]methyl]propanamide Traditional Name: 2-[(4-nitrophenyl)thio]-N-[4-(tetrahydrofurfuryloxy)benzyl]propionamide Formula: C21H24N2O5S MolecularWeight: 416.49066

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H24N2O5S/c1-15(29-20-10-6-17(7-11-20)23(25)26)21(24)22-13-16-4-8-18(9-5-16)28-14-19-3-2-12-27-19/h4-11,15,19H,2-3,12-14H2,1H3,(H,22,24)