N,N-diethyl-4-[(4-methylphenyl)sulfonylamino]-3-nitro-benzenesulfonamide

Systemtic Name: N,N-diethyl-4-[(4-methylphenyl)sulfonylamino]-3-nitro-benzenesulfonamide Openeye Name: N,N-diethyl-3-nitro-4-(p-tolylsulfonylamino)benzenesulfonamide CAS Name: N,N-diethyl-4-[(4-methylphenyl)sulfonylamino]-3-nitrobenzenesulfonamide IUPAC Name: N,N-diethyl-4-[(4-methylphenyl)sulfonylamino]-3-nitrobenzenesulfonamide Traditional Name: N,N-diethyl-3-nitro-4-(tosylamino)benzenesulfonamide Formula: C17H21N3O6S2 MolecularWeight: 427.49514

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H21N3O6S2/c1-4-19(5-2)28(25,26)15-10-11-16(17(12-15)20(21)22)18-27(23,24)14-8-6-13(3)7-9-14/h6-12,18H,4-5H2,1-3H3