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

Systemtic Name: 4-methylbenzenesulfonic acid; 4-oxidanyl-7-[2-[3-(2-phenethyloxyethylsulfonyl)propylamino]ethyl]-3H-1,3-benzothiazol-2-one Openeye Name: 4-hydroxy-7-[2-[3-(2-phenethyloxyethylsulfonyl)propylamino]ethyl]-3H-1,3-benzothiazol-2-one; 4-methylbenzenesulfonic acid CAS Name: 4-hydroxy-7-[2-[3-(2-phenethyloxyethylsulfonyl)propylamino]ethyl]-3H-1,3-benzothiazol-2-one; 4-methylbenzenesulfonic acid IUPAC Name: 4-hydroxy-7-[2-[3-(2-phenethyloxyethylsulfonyl)propylamino]ethyl]-3H-1,3-benzothiazol-2-one; 4-methylbenzenesulfonic acid Traditional Name: 4-hydroxy-7-[2-[3-(2-phenethyloxyethylsulfonyl)propylamino]ethyl]-3H-1,3-benzothiazol-2-one; tosylic acid Formula: C29H36N2O8S3 MolecularWeight: 636.79974

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)O.C1=CC=C(C=C1)CCOCCS(=O)(=O)CCCNCCC2=C3C(=C(C=C2)O)NC(=O)S3

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)O.C1=CC=C(C=C1)CCOCCS(=O)(=O)CCCNCCC2=C3C(=C(C=C2)O)NC(=O)S3

InChI

InChI=1S/C22H28N2O5S2.C7H8O3S/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;1-6-2-4-7(5-3-6)11(8,9)10/h1-3,5-8,23,25H,4,9-16H2,(H,24,26);2-5H,1H3,(H,8,9,10)