N-[2-[(4-oxidanyl-2,3-dihydro-1,3-benzothiazol-7-yl)-(2-oxidanylideneethyl)amino]ethyl]-2-phenethyloxy-ethanesulfonamide

Systemtic Name: N-[2-[(4-oxidanyl-2,3-dihydro-1,3-benzothiazol-7-yl)-(2-oxidanylideneethyl)amino]ethyl]-2-phenethyloxy-ethanesulfonamide Openeye Name: N-[2-[(4-hydroxy-2,3-dihydro-1,3-benzothiazol-7-yl)-(2-oxoethyl)amino]ethyl]-2-phenethyloxy-ethanesulfonamide CAS Name: N-[2-[(4-hydroxy-2,3-dihydro-1,3-benzothiazol-7-yl)-(2-oxoethyl)amino]ethyl]-2-phenethyloxyethanesulfonamide IUPAC Name: N-[2-[(4-hydroxy-2,3-dihydro-1,3-benzothiazol-7-yl)-(2-oxoethyl)amino]ethyl]-2-phenethyloxyethanesulfonamide Traditional Name: N-[2-[(4-hydroxy-2,3-dihydro-1,3-benzothiazol-7-yl)-(2-ketoethyl)amino]ethyl]-2-phenethyloxy-ethanesulfonamide Formula: C21H27N3O5S2 MolecularWeight: 465.58618

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Descriptors Computed from Structure

Canonical SMILES:

C1NC2=C(C=CC(=C2S1)N(CCNS(=O)(=O)CCOCCC3=CC=CC=C3)CC=O)O

Isomeric SMILES

C1NC2=C(C=CC(=C2S1)N(CCNS(=O)(=O)CCOCCC3=CC=CC=C3)CC=O)O

InChI

InChI=1S/C21H27N3O5S2/c25-12-11-24(18-6-7-19(26)20-21(18)30-16-22-20)10-9-23-31(27,28)15-14-29-13-8-17-4-2-1-3-5-17/h1-7,12,22-23,26H,8-11,13-16H2