4-methyl-N-[2-[(4-methylphenyl)sulfonylamino]-4-nitro-5-(pyridin-3-ylmethylamino)phenyl]benzenesulfonamide

Systemtic Name: 4-methyl-N-[2-[(4-methylphenyl)sulfonylamino]-4-nitro-5-(pyridin-3-ylmethylamino)phenyl]benzenesulfonamide Openeye Name: 4-methyl-N-[4-nitro-2-(p-tolylsulfonylamino)-5-(3-pyridylmethylamino)phenyl]benzenesulfonamide CAS Name: 4-methyl-N-[2-[(4-methylphenyl)sulfonylamino]-4-nitro-5-(3-pyridinylmethylamino)phenyl]benzenesulfonamide IUPAC Name: 4-methyl-N-[2-[(4-methylphenyl)sulfonylamino]-4-nitro-5-(pyridin-3-ylmethylamino)phenyl]benzenesulfonamide Traditional Name: 4-methyl-N-[4-nitro-5-(3-pyridylmethylamino)-2-(tosylamino)phenyl]benzenesulfonamide Formula: C26H25N5O6S2 MolecularWeight: 567.6366

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NC2=CC(=C(C=C2NS(=O)(=O)C3=CC=C(C=C3)C)[N+](=O)[O-])NCC4=CN=CC=C4

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)NC2=CC(=C(C=C2NS(=O)(=O)C3=CC=C(C=C3)C)[N+](=O)[O-])NCC4=CN=CC=C4

InChI

InChI=1S/C26H25N5O6S2/c1-18-5-9-21(10-6-18)38(34,35)29-23-14-25(28-17-20-4-3-13-27-16-20)26(31(32)33)15-24(23)30-39(36,37)22-11-7-19(2)8-12-22/h3-16,28-30H,17H2,1-2H3