2-methyl-N-[2-(4-nitrophenyl)ethyl]-5-(phenylsulfonyl)benzenesulfonamide

Systemtic Name: 2-methyl-N-[2-(4-nitrophenyl)ethyl]-5-(phenylsulfonyl)benzenesulfonamide Openeye Name: 5-(benzenesulfonyl)-2-methyl-N-[2-(4-nitrophenyl)ethyl]benzenesulfonamide CAS Name: 5-(benzenesulfonyl)-2-methyl-N-[2-(4-nitrophenyl)ethyl]benzenesulfonamide IUPAC Name: 5-(benzenesulfonyl)-2-methyl-N-[2-(4-nitrophenyl)ethyl]benzenesulfonamide Traditional Name: 5-besyl-2-methyl-N-[2-(4-nitrophenyl)ethyl]benzenesulfonamide Formula: C21H20N2O6S2 MolecularWeight: 460.5233

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)C2=CC=CC=C2)S(=O)(=O)NCCC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)C2=CC=CC=C2)S(=O)(=O)NCCC3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C21H20N2O6S2/c1-16-7-12-20(30(26,27)19-5-3-2-4-6-19)15-21(16)31(28,29)22-14-13-17-8-10-18(11-9-17)23(24)25/h2-12,15,22H,13-14H2,1H3