N-[3-(4-chlorophenyl)propyl]-2-[(2-methyl-5-nitro-phenyl)-methylsulfonyl-amino]ethanamide

Systemtic Name: N-[3-(4-chlorophenyl)propyl]-2-[(2-methyl-5-nitro-phenyl)-methylsulfonyl-amino]ethanamide Openeye Name: N-[3-(4-chlorophenyl)propyl]-2-(2-methyl-N-methylsulfonyl-5-nitro-anilino)acetamide CAS Name: N-[3-(4-chlorophenyl)propyl]-2-(2-methyl-N-methylsulfonyl-5-nitroanilino)acetamide IUPAC Name: N-[3-(4-chlorophenyl)propyl]-2-(2-methyl-N-methylsulfonyl-5-nitroanilino)acetamide Traditional Name: N-[3-(4-chlorophenyl)propyl]-2-(N-mesyl-2-methyl-5-nitro-anilino)acetamide Formula: C19H22ClN3O5S MolecularWeight: 439.91308

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)[N+](=O)[O-])N(CC(=O)NCCCC2=CC=C(C=C2)Cl)S(=O)(=O)C

Isomeric SMILES

CC1=C(C=C(C=C1)[N+](=O)[O-])N(CC(=O)NCCCC2=CC=C(C=C2)Cl)S(=O)(=O)C

InChI

InChI=1S/C19H22ClN3O5S/c1-14-5-10-17(23(25)26)12-18(14)22(29(2,27)28)13-19(24)21-11-3-4-15-6-8-16(20)9-7-15/h5-10,12H,3-4,11,13H2,1-2H3,(H,21,24)