4-methyl-N-(4-methylphenyl)sulfonyl-N-[3-[2-(pyridin-4-ylamino)ethoxy]phenyl]benzenesulfonamide

Systemtic Name: 4-methyl-N-(4-methylphenyl)sulfonyl-N-[3-[2-(pyridin-4-ylamino)ethoxy]phenyl]benzenesulfonamide Openeye Name: 4-methyl-N-(p-tolylsulfonyl)-N-[3-[2-(4-pyridylamino)ethoxy]phenyl]benzenesulfonamide CAS Name: 4-methyl-N-(4-methylphenyl)sulfonyl-N-[3-[2-(pyridin-4-ylamino)ethoxy]phenyl]benzenesulfonamide IUPAC Name: 4-methyl-N-(4-methylphenyl)sulfonyl-N-[3-[2-(pyridin-4-ylamino)ethoxy]phenyl]benzenesulfonamide Traditional Name: 4-methyl-N-[3-[2-(4-pyridylamino)ethoxy]phenyl]-N-tosyl-benzenesulfonamide Formula: C27H27N3O5S2 MolecularWeight: 537.65038

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N(C2=CC(=CC=C2)OCCNC3=CC=NC=C3)S(=O)(=O)C4=CC=C(C=C4)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N(C2=CC(=CC=C2)OCCNC3=CC=NC=C3)S(=O)(=O)C4=CC=C(C=C4)C

InChI

InChI=1S/C27H27N3O5S2/c1-21-6-10-26(11-7-21)36(31,32)30(37(33,34)27-12-8-22(2)9-13-27)24-4-3-5-25(20-24)35-19-18-29-23-14-16-28-17-15-23/h3-17,20H,18-19H2,1-2H3,(H,28,29)