2-methyl-1-nitro-4-(phenylsulfonylmethyl)benzene

Systemtic Name: 2-methyl-1-nitro-4-(phenylsulfonylmethyl)benzene Openeye Name: 4-(benzenesulfonylmethyl)-2-methyl-1-nitro-benzene CAS Name: 4-(benzenesulfonylmethyl)-2-methyl-1-nitrobenzene IUPAC Name: 4-(benzenesulfonylmethyl)-2-methyl-1-nitrobenzene Traditional Name: 4-(besylmethyl)-2-methyl-1-nitro-benzene Formula: C14H13NO4S MolecularWeight: 291.32232

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H13NO4S/c1-11-9-12(7-8-14(11)15(16)17)10-20(18,19)13-5-3-2-4-6-13/h2-9H,10H2,1H3