(2S)-N-[2-(3-methylphenoxy)ethyl]-2-(4-nitrophenyl)sulfonyl-propanamide

Systemtic Name: (2S)-N-[2-(3-methylphenoxy)ethyl]-2-(4-nitrophenyl)sulfonyl-propanamide Openeye Name: (2S)-N-[2-(3-methylphenoxy)ethyl]-2-(4-nitrophenyl)sulfonyl-propanamide CAS Name: (2S)-N-[2-(3-methylphenoxy)ethyl]-2-(4-nitrophenyl)sulfonylpropanamide IUPAC Name: (2S)-N-[2-(3-methylphenoxy)ethyl]-2-(4-nitrophenyl)sulfonylpropanamide Traditional Name: (2S)-N-[2-(3-methylphenoxy)ethyl]-2-nosyl-propionamide Formula: C18H20N2O6S MolecularWeight: 392.4262

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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