4-methyl-N-[2-[(4-methylphenyl)sulfonylamino]ethyl]-3-nitro-benzenesulfonamide

Systemtic Name: 4-methyl-N-[2-[(4-methylphenyl)sulfonylamino]ethyl]-3-nitro-benzenesulfonamide Openeye Name: 4-methyl-3-nitro-N-[2-(p-tolylsulfonylamino)ethyl]benzenesulfonamide CAS Name: 4-methyl-N-[2-[(4-methylphenyl)sulfonylamino]ethyl]-3-nitrobenzenesulfonamide IUPAC Name: 4-methyl-N-[2-[(4-methylphenyl)sulfonylamino]ethyl]-3-nitrobenzenesulfonamide Traditional Name: 4-methyl-3-nitro-N-[2-(tosylamino)ethyl]benzenesulfonamide Formula: C16H19N3O6S2 MolecularWeight: 413.46856

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H19N3O6S2/c1-12-3-6-14(7-4-12)26(22,23)17-9-10-18-27(24,25)15-8-5-13(2)16(11-15)19(20)21/h3-8,11,17-18H,9-10H2,1-2H3