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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H19N3O6S2/c1-13-7-9-14(10-8-13)26(22,23)17-11-4-12-18-27(24,25)16-6-3-2-5-15(16)19(20)21/h2-3,5-10,17-18H,4,11-12H2,1H3