2-[(2-methyl-5-nitro-phenyl)-methylsulfonyl-amino]-N-(3-phenylsulfanylpropyl)ethanamide

Systemtic Name: 2-[(2-methyl-5-nitro-phenyl)-methylsulfonyl-amino]-N-(3-phenylsulfanylpropyl)ethanamide Openeye Name: 2-(2-methyl-N-methylsulfonyl-5-nitro-anilino)-N-(3-phenylsulfanylpropyl)acetamide CAS Name: 2-(2-methyl-N-methylsulfonyl-5-nitroanilino)-N-[3-(phenylthio)propyl]acetamide IUPAC Name: 2-(2-methyl-N-methylsulfonyl-5-nitroanilino)-N-(3-phenylsulfanylpropyl)acetamide Traditional Name: 2-(N-mesyl-2-methyl-5-nitro-anilino)-N-[3-(phenylthio)propyl]acetamide Formula: C19H23N3O5S2 MolecularWeight: 437.53302

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)[N+](=O)[O-])N(CC(=O)NCCCSC2=CC=CC=C2)S(=O)(=O)C

Isomeric SMILES

CC1=C(C=C(C=C1)[N+](=O)[O-])N(CC(=O)NCCCSC2=CC=CC=C2)S(=O)(=O)C

InChI

InChI=1S/C19H23N3O5S2/c1-15-9-10-16(22(24)25)13-18(15)21(29(2,26)27)14-19(23)20-11-6-12-28-17-7-4-3-5-8-17/h3-5,7-10,13H,6,11-12,14H2,1-2H3,(H,20,23)