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

Systemtic Name: 3-methylsulfanyl-N-[2-[(4-methylsulfonyl-2-nitro-phenyl)amino]ethyl]propanamide Openeye Name: 3-methylsulfanyl-N-[2-(4-methylsulfonyl-2-nitro-anilino)ethyl]propanamide CAS Name: N-[2-(4-methylsulfonyl-2-nitroanilino)ethyl]-3-(methylthio)propanamide IUPAC Name: 3-methylsulfanyl-N-[2-(4-methylsulfonyl-2-nitroanilino)ethyl]propanamide Traditional Name: N-[2-(4-mesyl-2-nitro-anilino)ethyl]-3-(methylthio)propionamide Formula: C13H19N3O5S2 MolecularWeight: 361.43706

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(=O)NCCNC1=C(C=C(C=C1)S(=O)(=O)C)[N+](=O)[O-]

Isomeric SMILES

CSCCC(=O)NCCNC1=C(C=C(C=C1)S(=O)(=O)C)[N+](=O)[O-]

InChI

InChI=1S/C13H19N3O5S2/c1-22-8-5-13(17)15-7-6-14-11-4-3-10(23(2,20)21)9-12(11)16(18)19/h3-4,9,14H,5-8H2,1-2H3,(H,15,17)