2-(4-methylphenyl)sulfanyl-N-[2-[(4-methylsulfonyl-2-nitro-phenyl)amino]ethyl]propanamide

Systemtic Name: 2-(4-methylphenyl)sulfanyl-N-[2-[(4-methylsulfonyl-2-nitro-phenyl)amino]ethyl]propanamide Openeye Name: N-[2-(4-methylsulfonyl-2-nitro-anilino)ethyl]-2-(p-tolylsulfanyl)propanamide CAS Name: 2-[(4-methylphenyl)thio]-N-[2-(4-methylsulfonyl-2-nitroanilino)ethyl]propanamide IUPAC Name: 2-(4-methylphenyl)sulfanyl-N-[2-(4-methylsulfonyl-2-nitroanilino)ethyl]propanamide Traditional Name: N-[2-(4-mesyl-2-nitro-anilino)ethyl]-2-(p-tolylthio)propionamide Formula: C19H23N3O5S2 MolecularWeight: 437.53302

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H23N3O5S2/c1-13-4-6-15(7-5-13)28-14(2)19(23)21-11-10-20-17-9-8-16(29(3,26)27)12-18(17)22(24)25/h4-9,12,14,20H,10-11H2,1-3H3,(H,21,23)