N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-N-methyl-2-(4-nitrophenyl)sulfanyl-propanamide

Systemtic Name: N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-N-methyl-2-(4-nitrophenyl)sulfanyl-propanamide Openeye Name: N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-N-methyl-2-(4-nitrophenyl)sulfanyl-propanamide CAS Name: N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-N-methyl-2-[(4-nitrophenyl)thio]propanamide IUPAC Name: N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-N-methyl-2-(4-nitrophenyl)sulfanylpropanamide Traditional Name: N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-N-methyl-2-[(4-nitrophenyl)thio]propionamide Formula: C19H20N2O5S MolecularWeight: 388.4375

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N(C)CC1COC2=CC=CC=C2O1)SC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CC(C(=O)N(C)CC1COC2=CC=CC=C2O1)SC3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C19H20N2O5S/c1-13(27-16-9-7-14(8-10-16)21(23)24)19(22)20(2)11-15-12-25-17-5-3-4-6-18(17)26-15/h3-10,13,15H,11-12H2,1-2H3