2-[(2-methyl-5-nitro-phenyl)-methylsulfonyl-amino]-N-[(4-methylphenyl)methyl]ethanamide

Systemtic Name: 2-[(2-methyl-5-nitro-phenyl)-methylsulfonyl-amino]-N-[(4-methylphenyl)methyl]ethanamide Openeye Name: 2-(2-methyl-N-methylsulfonyl-5-nitro-anilino)-N-(p-tolylmethyl)acetamide CAS Name: 2-(2-methyl-N-methylsulfonyl-5-nitroanilino)-N-[(4-methylphenyl)methyl]acetamide IUPAC Name: 2-(2-methyl-N-methylsulfonyl-5-nitroanilino)-N-[(4-methylphenyl)methyl]acetamide Traditional Name: 2-(N-mesyl-2-methyl-5-nitro-anilino)-N-(4-methylbenzyl)acetamide Formula: C18H21N3O5S MolecularWeight: 391.44144

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H21N3O5S/c1-13-4-7-15(8-5-13)11-19-18(22)12-20(27(3,25)26)17-10-16(21(23)24)9-6-14(17)2/h4-10H,11-12H2,1-3H3,(H,19,22)