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

Systemtic Name: 2-[methylsulfonyl-(3-nitrophenyl)amino]-N-(3-phenylsulfanylpropyl)ethanamide Openeye Name: 2-(N-methylsulfonyl-3-nitro-anilino)-N-(3-phenylsulfanylpropyl)acetamide CAS Name: 2-(N-methylsulfonyl-3-nitroanilino)-N-[3-(phenylthio)propyl]acetamide IUPAC Name: 2-(N-methylsulfonyl-3-nitroanilino)-N-(3-phenylsulfanylpropyl)acetamide Traditional Name: 2-(N-mesyl-3-nitro-anilino)-N-[3-(phenylthio)propyl]acetamide Formula: C18H21N3O5S2 MolecularWeight: 423.50644

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N(CC(=O)NCCCSC1=CC=CC=C1)C2=CC(=CC=C2)[N+](=O)[O-]

Isomeric SMILES

CS(=O)(=O)N(CC(=O)NCCCSC1=CC=CC=C1)C2=CC(=CC=C2)[N+](=O)[O-]

InChI

InChI=1S/C18H21N3O5S2/c1-28(25,26)20(15-7-5-8-16(13-15)21(23)24)14-18(22)19-11-6-12-27-17-9-3-2-4-10-17/h2-5,7-10,13H,6,11-12,14H2,1H3,(H,19,22)