N-[5-[(1R)-2-[1-[4-[[4-(octylamino)-1,1-bis(oxidanylidene)-1,2,5-thiadiazol-3-yl]amino]phenyl]propan-2-ylamino]-1-oxidanyl-ethyl]-2-phenylmethoxy-phenyl]methanesulfonamide

Systemtic Name: N-[5-[(1R)-2-[1-[4-[[4-(octylamino)-1,1-bis(oxidanylidene)-1,2,5-thiadiazol-3-yl]amino]phenyl]propan-2-ylamino]-1-oxidanyl-ethyl]-2-phenylmethoxy-phenyl]methanesulfonamide Openeye Name: N-[2-benzyloxy-5-[(1R)-1-hydroxy-2-[[1-methyl-2-[4-[[4-(octylamino)-1,1-dioxo-1,2,5-thiadiazol-3-yl]amino]phenyl]ethyl]amino]ethyl]phenyl]methanesulfonamide CAS Name: N-[5-[(1R)-1-hydroxy-2-[1-[4-[[4-(octylamino)-1,1-dioxo-1,2,5-thiadiazol-3-yl]amino]phenyl]propan-2-ylamino]ethyl]-2-phenylmethoxyphenyl]methanesulfonamide IUPAC Name: N-[5-[(1R)-1-hydroxy-2-[1-[4-[[4-(octylamino)-1,1-dioxo-1,2,5-thiadiazol-3-yl]amino]phenyl]propan-2-ylamino]ethyl]-2-phenylmethoxyphenyl]methanesulfonamide Traditional Name: N-[2-benzoxy-5-[(1R)-2-[[2-[4-[[1,1-diketo-4-(octylamino)-1,2,5-thiadiazol-3-yl]amino]phenyl]-1-methyl-ethyl]amino]-1-hydroxy-ethyl]phenyl]methanesulfonamide Formula: C35H48N6O6S2 MolecularWeight: 712.92222

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCNC1=NS(=O)(=O)N=C1NC2=CC=C(C=C2)CC(C)NCC(C3=CC(=C(C=C3)OCC4=CC=CC=C4)NS(=O)(=O)C)O

Isomeric SMILES

CCCCCCCCNC1=NS(=O)(=O)N=C1NC2=CC=C(C=C2)CC(C)NC[C@@H](C3=CC(=C(C=C3)OCC4=CC=CC=C4)NS(=O)(=O)C)O

InChI

InChI=1S/C35H48N6O6S2/c1-4-5-6-7-8-12-21-36-34-35(41-49(45,46)40-34)38-30-18-15-27(16-19-30)22-26(2)37-24-32(42)29-17-20-33(31(23-29)39-48(3,43)44)47-25-28-13-10-9-11-14-28/h9-11,13-20,23,26,32,37,39,42H,4-8,12,21-22,24-25H2,1-3H3,(H,36,40)(H,38,41)/t26?,32-/m0/s1