2-[(3-chlorophenyl)methylsulfanyl]-N-[2-[(4-methylsulfonyl-2-nitro-phenyl)amino]ethyl]ethanamide

Systemtic Name: 2-[(3-chlorophenyl)methylsulfanyl]-N-[2-[(4-methylsulfonyl-2-nitro-phenyl)amino]ethyl]ethanamide Openeye Name: 2-[(3-chlorophenyl)methylsulfanyl]-N-[2-(4-methylsulfonyl-2-nitro-anilino)ethyl]acetamide CAS Name: 2-[(3-chlorophenyl)methylthio]-N-[2-(4-methylsulfonyl-2-nitroanilino)ethyl]acetamide IUPAC Name: 2-[(3-chlorophenyl)methylsulfanyl]-N-[2-(4-methylsulfonyl-2-nitroanilino)ethyl]acetamide Traditional Name: 2-[(3-chlorobenzyl)thio]-N-[2-(4-mesyl-2-nitro-anilino)ethyl]acetamide Formula: C18H20ClN3O5S2 MolecularWeight: 457.9515

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC(=C(C=C1)NCCNC(=O)CSCC2=CC(=CC=C2)Cl)[N+](=O)[O-]

Isomeric SMILES

CS(=O)(=O)C1=CC(=C(C=C1)NCCNC(=O)CSCC2=CC(=CC=C2)Cl)[N+](=O)[O-]

InChI

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