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

Systemtic Name: 2-[(2-methyl-5-nitro-phenyl)-methylsulfonyl-amino]-N-[3-(3-methylphenyl)propyl]ethanamide Openeye Name: 2-(2-methyl-N-methylsulfonyl-5-nitro-anilino)-N-[3-(m-tolyl)propyl]acetamide CAS Name: 2-(2-methyl-N-methylsulfonyl-5-nitroanilino)-N-[3-(3-methylphenyl)propyl]acetamide IUPAC Name: 2-(2-methyl-N-methylsulfonyl-5-nitroanilino)-N-[3-(3-methylphenyl)propyl]acetamide Traditional Name: 2-(N-mesyl-2-methyl-5-nitro-anilino)-N-[3-(m-tolyl)propyl]acetamide Formula: C20H25N3O5S MolecularWeight: 419.4946

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H25N3O5S/c1-15-6-4-7-17(12-15)8-5-11-21-20(24)14-22(29(3,27)28)19-13-18(23(25)26)10-9-16(19)2/h4,6-7,9-10,12-13H,5,8,11,14H2,1-3H3,(H,21,24)