3-(2-methylphenoxy)-N-[2-[(4-methylsulfonyl-2-nitro-phenyl)amino]ethyl]propanamide

Systemtic Name: 3-(2-methylphenoxy)-N-[2-[(4-methylsulfonyl-2-nitro-phenyl)amino]ethyl]propanamide Openeye Name: 3-(2-methylphenoxy)-N-[2-(4-methylsulfonyl-2-nitro-anilino)ethyl]propanamide CAS Name: 3-(2-methylphenoxy)-N-[2-(4-methylsulfonyl-2-nitroanilino)ethyl]propanamide IUPAC Name: 3-(2-methylphenoxy)-N-[2-(4-methylsulfonyl-2-nitroanilino)ethyl]propanamide Traditional Name: N-[2-(4-mesyl-2-nitro-anilino)ethyl]-3-(2-methylphenoxy)propionamide Formula: C19H23N3O6S MolecularWeight: 421.46742

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1OCCC(=O)NCCNC2=C(C=C(C=C2)S(=O)(=O)C)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=CC=C1OCCC(=O)NCCNC2=C(C=C(C=C2)S(=O)(=O)C)[N+](=O)[O-]

InChI

InChI=1S/C19H23N3O6S/c1-14-5-3-4-6-18(14)28-12-9-19(23)21-11-10-20-16-8-7-15(29(2,26)27)13-17(16)22(24)25/h3-8,13,20H,9-12H2,1-2H3,(H,21,23)