hexanoic acid; 4-oxidanyl-7-[2-[3-(2-phenethyloxyethylsulfonyl)propylamino]ethyl]-3H-1,3-benzothiazol-2-one

Systemtic Name: hexanoic acid; 4-oxidanyl-7-[2-[3-(2-phenethyloxyethylsulfonyl)propylamino]ethyl]-3H-1,3-benzothiazol-2-one Openeye Name: hexanoic acid; 4-hydroxy-7-[2-[3-(2-phenethyloxyethylsulfonyl)propylamino]ethyl]-3H-1,3-benzothiazol-2-one CAS Name: hexanoic acid; 4-hydroxy-7-[2-[3-(2-phenethyloxyethylsulfonyl)propylamino]ethyl]-3H-1,3-benzothiazol-2-one IUPAC Name: hexanoic acid; 4-hydroxy-7-[2-[3-(2-phenethyloxyethylsulfonyl)propylamino]ethyl]-3H-1,3-benzothiazol-2-one Traditional Name: hexanoic acid; 4-hydroxy-7-[2-[3-(2-phenethyloxyethylsulfonyl)propylamino]ethyl]-3H-1,3-benzothiazol-2-one Formula: C28H40N2O7S2 MolecularWeight: 580.7564

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(=O)O.C1=CC=C(C=C1)CCOCCS(=O)(=O)CCCNCCC2=C3C(=C(C=C2)O)NC(=O)S3

Isomeric SMILES

CCCCCC(=O)O.C1=CC=C(C=C1)CCOCCS(=O)(=O)CCCNCCC2=C3C(=C(C=C2)O)NC(=O)S3

InChI

InChI=1S/C22H28N2O5S2.C6H12O2/c25-19-8-7-18(21-20(19)24-22(26)30-21)9-12-23-11-4-15-31(27,28)16-14-29-13-10-17-5-2-1-3-6-17;1-2-3-4-5-6(7)8/h1-3,5-8,23,25H,4,9-16H2,(H,24,26);2-5H2,1H3,(H,7,8)