N-[3-(4-chlorophenyl)sulfanylpropyl]-2-[methylsulfonyl-(3-nitrophenyl)amino]ethanamide

Systemtic Name: N-[3-(4-chlorophenyl)sulfanylpropyl]-2-[methylsulfonyl-(3-nitrophenyl)amino]ethanamide Openeye Name: N-[3-(4-chlorophenyl)sulfanylpropyl]-2-(N-methylsulfonyl-3-nitro-anilino)acetamide CAS Name: N-[3-[(4-chlorophenyl)thio]propyl]-2-(N-methylsulfonyl-3-nitroanilino)acetamide IUPAC Name: N-[3-(4-chlorophenyl)sulfanylpropyl]-2-(N-methylsulfonyl-3-nitroanilino)acetamide Traditional Name: N-[3-[(4-chlorophenyl)thio]propyl]-2-(N-mesyl-3-nitro-anilino)acetamide Formula: C18H20ClN3O5S2 MolecularWeight: 457.9515

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H20ClN3O5S2/c1-29(26,27)21(15-4-2-5-16(12-15)22(24)25)13-18(23)20-10-3-11-28-17-8-6-14(19)7-9-17/h2,4-9,12H,3,10-11,13H2,1H3,(H,20,23)