2-[methylsulfonyl-(3-nitrophenyl)amino]-N-[3-(phenylmethylsulfanyl)propyl]ethanamide

Systemtic Name: 2-[methylsulfonyl-(3-nitrophenyl)amino]-N-[3-(phenylmethylsulfanyl)propyl]ethanamide Openeye Name: N-(3-benzylsulfanylpropyl)-2-(N-methylsulfonyl-3-nitro-anilino)acetamide CAS Name: 2-(N-methylsulfonyl-3-nitroanilino)-N-[3-(phenylmethylthio)propyl]acetamide IUPAC Name: N-(3-benzylsulfanylpropyl)-2-(N-methylsulfonyl-3-nitroanilino)acetamide Traditional Name: N-[3-(benzylthio)propyl]-2-(N-mesyl-3-nitro-anilino)acetamide Formula: C19H23N3O5S2 MolecularWeight: 437.53302

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N(CC(=O)NCCCSCC1=CC=CC=C1)C2=CC(=CC=C2)[N+](=O)[O-]

Isomeric SMILES

CS(=O)(=O)N(CC(=O)NCCCSCC1=CC=CC=C1)C2=CC(=CC=C2)[N+](=O)[O-]

InChI

InChI=1S/C19H23N3O5S2/c1-29(26,27)21(17-9-5-10-18(13-17)22(24)25)14-19(23)20-11-6-12-28-15-16-7-3-2-4-8-16/h2-5,7-10,13H,6,11-12,14-15H2,1H3,(H,20,23)