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

Systemtic Name: 4-oxidanyl-7-[2-(6-phenethylsulfonylhexylamino)ethyl]-3H-1,3-benzothiazol-2-one Openeye Name: 4-hydroxy-7-[2-(6-phenethylsulfonylhexylamino)ethyl]-3H-1,3-benzothiazol-2-one CAS Name: 4-hydroxy-7-[2-(6-phenethylsulfonylhexylamino)ethyl]-3H-1,3-benzothiazol-2-one IUPAC Name: 4-hydroxy-7-[2-(6-phenethylsulfonylhexylamino)ethyl]-3H-1,3-benzothiazol-2-one Traditional Name: 4-hydroxy-7-[2-(6-phenethylsulfonylhexylamino)ethyl]-3H-1,3-benzothiazol-2-one Formula: C23H30N2O4S2 MolecularWeight: 462.6253

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCS(=O)(=O)CCCCCCNCCC2=C3C(=C(C=C2)O)NC(=O)S3

Isomeric SMILES

C1=CC=C(C=C1)CCS(=O)(=O)CCCCCCNCCC2=C3C(=C(C=C2)O)NC(=O)S3

InChI

InChI=1S/C23H30N2O4S2/c26-20-11-10-19(22-21(20)25-23(27)30-22)12-15-24-14-6-1-2-7-16-31(28,29)17-13-18-8-4-3-5-9-18/h3-5,8-11,24,26H,1-2,6-7,12-17H2,(H,25,27)