4-oxidanyl-7-[(1R)-1-oxidanyl-2-[6-(4-phenylbutoxy)hexylamino]ethyl]-3H-1,3-benzothiazol-2-one

Systemtic Name: 4-oxidanyl-7-[(1R)-1-oxidanyl-2-[6-(4-phenylbutoxy)hexylamino]ethyl]-3H-1,3-benzothiazol-2-one Openeye Name: 4-hydroxy-7-[(1R)-1-hydroxy-2-[6-(4-phenylbutoxy)hexylamino]ethyl]-3H-1,3-benzothiazol-2-one CAS Name: 4-hydroxy-7-[(1R)-1-hydroxy-2-[6-(4-phenylbutoxy)hexylamino]ethyl]-3H-1,3-benzothiazol-2-one IUPAC Name: 4-hydroxy-7-[(1R)-1-hydroxy-2-[6-(4-phenylbutoxy)hexylamino]ethyl]-3H-1,3-benzothiazol-2-one Traditional Name: 4-hydroxy-7-[(1R)-1-hydroxy-2-[6-(4-phenylbutoxy)hexylamino]ethyl]-3H-1,3-benzothiazol-2-one Formula: C25H34N2O4S MolecularWeight: 458.61346

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCCCOCCCCCCNCC(C2=C3C(=C(C=C2)O)NC(=O)S3)O

Isomeric SMILES

C1=CC=C(C=C1)CCCCOCCCCCCNC[C@@H](C2=C3C(=C(C=C2)O)NC(=O)S3)O

InChI

InChI=1S/C25H34N2O4S/c28-21-14-13-20(24-23(21)27-25(30)32-24)22(29)18-26-15-7-1-2-8-16-31-17-9-6-12-19-10-4-3-5-11-19/h3-5,10-11,13-14,22,26,28-29H,1-2,6-9,12,15-18H2,(H,27,30)/t22-/m0/s1