N-methyl-N-[(2-methylphenyl)methyl]-4-methylsulfonyl-3-nitro-benzamide

Systemtic Name: N-methyl-N-[(2-methylphenyl)methyl]-4-methylsulfonyl-3-nitro-benzamide Openeye Name: N-methyl-4-methylsulfonyl-3-nitro-N-(o-tolylmethyl)benzamide CAS Name: N-methyl-N-[(2-methylphenyl)methyl]-4-methylsulfonyl-3-nitrobenzamide IUPAC Name: N-methyl-N-[(2-methylphenyl)methyl]-4-methylsulfonyl-3-nitrobenzamide Traditional Name: 4-mesyl-N-methyl-N-(2-methylbenzyl)-3-nitro-benzamide Formula: C17H18N2O5S MolecularWeight: 362.40022

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CN(C)C(=O)C2=CC(=C(C=C2)S(=O)(=O)C)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=CC=C1CN(C)C(=O)C2=CC(=C(C=C2)S(=O)(=O)C)[N+](=O)[O-]

InChI

InChI=1S/C17H18N2O5S/c1-12-6-4-5-7-14(12)11-18(2)17(20)13-8-9-16(25(3,23)24)15(10-13)19(21)22/h4-10H,11H2,1-3H3