2,4-dimethyl-3-[methyl-(4-methylphenyl)sulfonyl-amino]-N-(pyridin-3-ylmethyl)benzenesulfonamide

Systemtic Name: 2,4-dimethyl-3-[methyl-(4-methylphenyl)sulfonyl-amino]-N-(pyridin-3-ylmethyl)benzenesulfonamide Openeye Name: 2,4-dimethyl-3-[methyl(p-tolylsulfonyl)amino]-N-(3-pyridylmethyl)benzenesulfonamide CAS Name: 2,4-dimethyl-3-[methyl-(4-methylphenyl)sulfonylamino]-N-(3-pyridinylmethyl)benzenesulfonamide IUPAC Name: 2,4-dimethyl-3-[methyl-(4-methylphenyl)sulfonylamino]-N-(pyridin-3-ylmethyl)benzenesulfonamide Traditional Name: 2,4-dimethyl-3-[methyl(tosyl)amino]-N-(3-pyridylmethyl)benzenesulfonamide Formula: C22H25N3O4S2 MolecularWeight: 459.5816

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N(C)C2=C(C=CC(=C2C)S(=O)(=O)NCC3=CN=CC=C3)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N(C)C2=C(C=CC(=C2C)S(=O)(=O)NCC3=CN=CC=C3)C

InChI

InChI=1S/C22H25N3O4S2/c1-16-7-10-20(11-8-16)31(28,29)25(4)22-17(2)9-12-21(18(22)3)30(26,27)24-15-19-6-5-13-23-14-19/h5-14,24H,15H2,1-4H3