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

Systemtic Name: N-[3-(3-methylphenyl)propyl]-2-[methylsulfonyl-(3-nitrophenyl)amino]ethanamide Openeye Name: 2-(N-methylsulfonyl-3-nitro-anilino)-N-[3-(m-tolyl)propyl]acetamide CAS Name: N-[3-(3-methylphenyl)propyl]-2-(N-methylsulfonyl-3-nitroanilino)acetamide IUPAC Name: N-[3-(3-methylphenyl)propyl]-2-(N-methylsulfonyl-3-nitroanilino)acetamide Traditional Name: 2-(N-mesyl-3-nitro-anilino)-N-[3-(m-tolyl)propyl]acetamide Formula: C19H23N3O5S MolecularWeight: 405.46802

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)CCCNC(=O)CN(C2=CC(=CC=C2)[N+](=O)[O-])S(=O)(=O)C

Isomeric SMILES

CC1=CC(=CC=C1)CCCNC(=O)CN(C2=CC(=CC=C2)[N+](=O)[O-])S(=O)(=O)C

InChI

InChI=1S/C19H23N3O5S/c1-15-6-3-7-16(12-15)8-5-11-20-19(23)14-21(28(2,26)27)17-9-4-10-18(13-17)22(24)25/h3-4,6-7,9-10,12-13H,5,8,11,14H2,1-2H3,(H,20,23)