N,2-dimethyl-N-[1-(4-methylsulfonylphenyl)ethyl]-3-nitro-benzamide

Systemtic Name: N,2-dimethyl-N-[1-(4-methylsulfonylphenyl)ethyl]-3-nitro-benzamide Openeye Name: N,2-dimethyl-N-[1-(4-methylsulfonylphenyl)ethyl]-3-nitro-benzamide CAS Name: N,2-dimethyl-N-[1-(4-methylsulfonylphenyl)ethyl]-3-nitrobenzamide IUPAC Name: N,2-dimethyl-N-[1-(4-methylsulfonylphenyl)ethyl]-3-nitrobenzamide Traditional Name: N-[1-(4-mesylphenyl)ethyl]-N,2-dimethyl-3-nitro-benzamide Formula: C18H20N2O5S MolecularWeight: 376.4268

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H20N2O5S/c1-12-16(6-5-7-17(12)20(22)23)18(21)19(3)13(2)14-8-10-15(11-9-14)26(4,24)25/h5-11,13H,1-4H3