N-[(3-methylphenyl)methyl]-2-[(4-nitrophenyl)-(phenylsulfonyl)amino]ethanamide

Systemtic Name: N-[(3-methylphenyl)methyl]-2-[(4-nitrophenyl)-(phenylsulfonyl)amino]ethanamide Openeye Name: 2-[N-(benzenesulfonyl)-4-nitro-anilino]-N-(m-tolylmethyl)acetamide CAS Name: 2-[N-(benzenesulfonyl)-4-nitroanilino]-N-[(3-methylphenyl)methyl]acetamide IUPAC Name: 2-[N-(benzenesulfonyl)-4-nitroanilino]-N-[(3-methylphenyl)methyl]acetamide Traditional Name: 2-(N-besyl-4-nitro-anilino)-N-(3-methylbenzyl)acetamide Formula: C22H21N3O5S MolecularWeight: 439.48424

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)CNC(=O)CN(C2=CC=C(C=C2)[N+](=O)[O-])S(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

CC1=CC(=CC=C1)CNC(=O)CN(C2=CC=C(C=C2)[N+](=O)[O-])S(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C22H21N3O5S/c1-17-6-5-7-18(14-17)15-23-22(26)16-24(19-10-12-20(13-11-19)25(27)28)31(29,30)21-8-3-2-4-9-21/h2-14H,15-16H2,1H3,(H,23,26)