2-(4-nitrophenyl)ethanamine; N-(4-propoxyphenyl)methanesulfonamide

Systemtic Name: 2-(4-nitrophenyl)ethanamine; N-(4-propoxyphenyl)methanesulfonamide Openeye Name: 2-(4-nitrophenyl)ethanamine; N-(4-propoxyphenyl)methanesulfonamide CAS Name: 2-(4-nitrophenyl)ethanamine; N-(4-propoxyphenyl)methanesulfonamide IUPAC Name: 2-(4-nitrophenyl)ethanamine; N-(4-propoxyphenyl)methanesulfonamide Traditional Name: 2-(4-nitrophenyl)ethylamine; N-(4-propoxyphenyl)methanesulfonamide Formula: C18H25N3O5S MolecularWeight: 395.4732

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC=C(C=C1)NS(=O)(=O)C.C1=CC(=CC=C1CCN)[N+](=O)[O-]

Isomeric SMILES

CCCOC1=CC=C(C=C1)NS(=O)(=O)C.C1=CC(=CC=C1CCN)[N+](=O)[O-]

InChI

InChI=1S/C10H15NO3S.C8H10N2O2/c1-3-8-14-10-6-4-9(5-7-10)11-15(2,12)13;9-6-5-7-1-3-8(4-2-7)10(11)12/h4-7,11H,3,8H2,1-2H3;1-4H,5-6,9H2