(2S)-N-[2-(4-methylphenoxy)ethyl]-2-(4-nitrophenyl)sulfonyl-propanamide

Systemtic Name: (2S)-N-[2-(4-methylphenoxy)ethyl]-2-(4-nitrophenyl)sulfonyl-propanamide Openeye Name: (2S)-N-[2-(4-methylphenoxy)ethyl]-2-(4-nitrophenyl)sulfonyl-propanamide CAS Name: (2S)-N-[2-(4-methylphenoxy)ethyl]-2-(4-nitrophenyl)sulfonylpropanamide IUPAC Name: (2S)-N-[2-(4-methylphenoxy)ethyl]-2-(4-nitrophenyl)sulfonylpropanamide Traditional Name: (2S)-N-[2-(4-methylphenoxy)ethyl]-2-nosyl-propionamide Formula: C18H20N2O6S MolecularWeight: 392.4262

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)OCCNC(=O)C(C)S(=O)(=O)C2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)OCCNC(=O)[C@H](C)S(=O)(=O)C2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C18H20N2O6S/c1-13-3-7-16(8-4-13)26-12-11-19-18(21)14(2)27(24,25)17-9-5-15(6-10-17)20(22)23/h3-10,14H,11-12H2,1-2H3,(H,19,21)/t14-/m0/s1