N-(4-methyl-3-nitro-phenyl)-3-(methylsulfonylmethyl)benzamide

Systemtic Name: N-(4-methyl-3-nitro-phenyl)-3-(methylsulfonylmethyl)benzamide Openeye Name: N-(4-methyl-3-nitro-phenyl)-3-(methylsulfonylmethyl)benzamide CAS Name: N-(4-methyl-3-nitrophenyl)-3-(methylsulfonylmethyl)benzamide IUPAC Name: N-(4-methyl-3-nitrophenyl)-3-(methylsulfonylmethyl)benzamide Traditional Name: 3-(mesylmethyl)-N-(4-methyl-3-nitro-phenyl)benzamide Formula: C16H16N2O5S MolecularWeight: 348.37364

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)C2=CC(=CC=C2)CS(=O)(=O)C)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)C2=CC(=CC=C2)CS(=O)(=O)C)[N+](=O)[O-]

InChI

InChI=1S/C16H16N2O5S/c1-11-6-7-14(9-15(11)18(20)21)17-16(19)13-5-3-4-12(8-13)10-24(2,22)23/h3-9H,10H2,1-2H3,(H,17,19)