N-[3-[(4-methylphenyl)sulfonylmethyl]-2,4-dinitro-phenyl]ethanamide

Systemtic Name: N-[3-[(4-methylphenyl)sulfonylmethyl]-2,4-dinitro-phenyl]ethanamide Openeye Name: N-[2,4-dinitro-3-(p-tolylsulfonylmethyl)phenyl]acetamide CAS Name: N-[3-[(4-methylphenyl)sulfonylmethyl]-2,4-dinitrophenyl]acetamide IUPAC Name: N-[3-[(4-methylphenyl)sulfonylmethyl]-2,4-dinitrophenyl]acetamide Traditional Name: N-[2,4-dinitro-3-(tosylmethyl)phenyl]acetamide Formula: C16H15N3O7S MolecularWeight: 393.3712

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)CC2=C(C=CC(=C2[N+](=O)[O-])NC(=O)C)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)CC2=C(C=CC(=C2[N+](=O)[O-])NC(=O)C)[N+](=O)[O-]

InChI

InChI=1S/C16H15N3O7S/c1-10-3-5-12(6-4-10)27(25,26)9-13-15(18(21)22)8-7-14(17-11(2)20)16(13)19(23)24/h3-8H,9H2,1-2H3,(H,17,20)