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

Systemtic Name: 2-[(2-methyl-5-nitro-phenyl)-methylsulfonyl-amino]-N-[3-(phenylmethylsulfanyl)propyl]ethanamide Openeye Name: N-(3-benzylsulfanylpropyl)-2-(2-methyl-N-methylsulfonyl-5-nitro-anilino)acetamide CAS Name: 2-(2-methyl-N-methylsulfonyl-5-nitroanilino)-N-[3-(phenylmethylthio)propyl]acetamide IUPAC Name: N-(3-benzylsulfanylpropyl)-2-(2-methyl-N-methylsulfonyl-5-nitroanilino)acetamide Traditional Name: N-[3-(benzylthio)propyl]-2-(N-mesyl-2-methyl-5-nitro-anilino)acetamide Formula: C20H25N3O5S2 MolecularWeight: 451.5596

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)[N+](=O)[O-])N(CC(=O)NCCCSCC2=CC=CC=C2)S(=O)(=O)C

Isomeric SMILES

CC1=C(C=C(C=C1)[N+](=O)[O-])N(CC(=O)NCCCSCC2=CC=CC=C2)S(=O)(=O)C

InChI

InChI=1S/C20H25N3O5S2/c1-16-9-10-18(23(25)26)13-19(16)22(30(2,27)28)14-20(24)21-11-6-12-29-15-17-7-4-3-5-8-17/h3-5,7-10,13H,6,11-12,14-15H2,1-2H3,(H,21,24)