4-[4-methyl-5-[oxidanyl(diphenyl)methyl]-1,2,3-triazol-2-yl]-N-[4-[2-[(2-oxidanyl-2-pyridin-3-yl-ethyl)amino]ethyl]phenyl]benzenesulfonamide

Systemtic Name: 4-[4-methyl-5-[oxidanyl(diphenyl)methyl]-1,2,3-triazol-2-yl]-N-[4-[2-[(2-oxidanyl-2-pyridin-3-yl-ethyl)amino]ethyl]phenyl]benzenesulfonamide Openeye Name: 4-[4-[hydroxy(diphenyl)methyl]-5-methyl-triazol-2-yl]-N-[4-[2-[[2-hydroxy-2-(3-pyridyl)ethyl]amino]ethyl]phenyl]benzenesulfonamide CAS Name: 4-[4-[hydroxy(diphenyl)methyl]-5-methyl-2-triazolyl]-N-[4-[2-[[2-hydroxy-2-(3-pyridinyl)ethyl]amino]ethyl]phenyl]benzenesulfonamide IUPAC Name: 4-[4-[hydroxy(diphenyl)methyl]-5-methyltriazol-2-yl]-N-[4-[2-[(2-hydroxy-2-pyridin-3-ylethyl)amino]ethyl]phenyl]benzenesulfonamide Traditional Name: 4-[4-[hydroxy(diphenyl)methyl]-5-methyl-triazol-2-yl]-N-[4-[2-[[2-hydroxy-2-(3-pyridyl)ethyl]amino]ethyl]phenyl]benzenesulfonamide Formula: C37H36N6O4S MolecularWeight: 660.78454

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(N=C1C(C2=CC=CC=C2)(C3=CC=CC=C3)O)C4=CC=C(C=C4)S(=O)(=O)NC5=CC=C(C=C5)CCNCC(C6=CN=CC=C6)O

Isomeric SMILES

CC1=NN(N=C1C(C2=CC=CC=C2)(C3=CC=CC=C3)O)C4=CC=C(C=C4)S(=O)(=O)NC5=CC=C(C=C5)CCNCC(C6=CN=CC=C6)O

InChI

InChI=1S/C37H36N6O4S/c1-27-36(37(45,30-10-4-2-5-11-30)31-12-6-3-7-13-31)41-43(40-27)33-18-20-34(21-19-33)48(46,47)42-32-16-14-28(15-17-32)22-24-39-26-35(44)29-9-8-23-38-25-29/h2-21,23,25,35,39,42,44-45H,22,24,26H2,1H3