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

Systemtic Name: 4-methylbenzenesulfonic acid; 3-[2-[3-(2-phenethyloxyethylsulfonyl)propylamino]ethyl]-1,3-benzothiazol-2-one Openeye Name: 4-methylbenzenesulfonic acid; 3-[2-[3-(2-phenethyloxyethylsulfonyl)propylamino]ethyl]-1,3-benzothiazol-2-one CAS Name: 4-methylbenzenesulfonic acid; 3-[2-[3-(2-phenethyloxyethylsulfonyl)propylamino]ethyl]-1,3-benzothiazol-2-one IUPAC Name: 4-methylbenzenesulfonic acid; 3-[2-[3-(2-phenethyloxyethylsulfonyl)propylamino]ethyl]-1,3-benzothiazol-2-one Traditional Name: 3-[2-[3-(2-phenethyloxyethylsulfonyl)propylamino]ethyl]-1,3-benzothiazol-2-one; tosylic acid Formula: C29H36N2O7S3 MolecularWeight: 620.80034

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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)CCCNCCN2C3=CC=CC=C3SC2=O

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)O.C1=CC=C(C=C1)CCOCCS(=O)(=O)CCCNCCN2C3=CC=CC=C3SC2=O

InChI

InChI=1S/C22H28N2O4S2.C7H8O3S/c25-22-24(20-9-4-5-10-21(20)29-22)14-13-23-12-6-17-30(26,27)18-16-28-15-11-19-7-2-1-3-8-19;1-6-2-4-7(5-3-6)11(8,9)10/h1-5,7-10,23H,6,11-18H2;2-5H,1H3,(H,8,9,10)