4-methylsulfonyl-3-nitro-N-[2-(phenylmethyl)phenyl]benzamide

Systemtic Name: 4-methylsulfonyl-3-nitro-N-[2-(phenylmethyl)phenyl]benzamide Openeye Name: N-(2-benzylphenyl)-4-methylsulfonyl-3-nitro-benzamide CAS Name: 4-methylsulfonyl-3-nitro-N-[2-(phenylmethyl)phenyl]benzamide IUPAC Name: N-(2-benzylphenyl)-4-methylsulfonyl-3-nitrobenzamide Traditional Name: N-(2-benzylphenyl)-4-mesyl-3-nitro-benzamide Formula: C21H18N2O5S MolecularWeight: 410.44302

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=C(C=C(C=C1)C(=O)NC2=CC=CC=C2CC3=CC=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CS(=O)(=O)C1=C(C=C(C=C1)C(=O)NC2=CC=CC=C2CC3=CC=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C21H18N2O5S/c1-29(27,28)20-12-11-17(14-19(20)23(25)26)21(24)22-18-10-6-5-9-16(18)13-15-7-3-2-4-8-15/h2-12,14H,13H2,1H3,(H,22,24)