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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)OC(C)C(=O)NCCNC2=C(C=C(C=C2)S(=O)(=O)C)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=CC=C1)O[C@@H](C)C(=O)NCCNC2=C(C=C(C=C2)S(=O)(=O)C)[N+](=O)[O-]

InChI

InChI=1S/C19H23N3O6S/c1-13-5-4-6-15(11-13)28-14(2)19(23)21-10-9-20-17-8-7-16(29(3,26)27)12-18(17)22(24)25/h4-8,11-12,14,20H,9-10H2,1-3H3,(H,21,23)/t14-/m0/s1