3-[[2-(4-aminophenyl)-1,3-benzothiazol-6-yl]oxy]propyl 4-methylbenzenesulfonate

Systemtic Name: 3-[[2-(4-aminophenyl)-1,3-benzothiazol-6-yl]oxy]propyl 4-methylbenzenesulfonate Openeye Name: 3-[[2-(4-aminophenyl)-1,3-benzothiazol-6-yl]oxy]propyl 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid 3-[[2-(4-aminophenyl)-1,3-benzothiazol-6-yl]oxy]propyl ester IUPAC Name: 3-[[2-(4-aminophenyl)-1,3-benzothiazol-6-yl]oxy]propyl 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid 3-[[2-(4-aminophenyl)-1,3-benzothiazol-6-yl]oxy]propyl ester Formula: C23H22N2O4S2 MolecularWeight: 454.56178

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OCCCOC2=CC3=C(C=C2)N=C(S3)C4=CC=C(C=C4)N

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OCCCOC2=CC3=C(C=C2)N=C(S3)C4=CC=C(C=C4)N

InChI

InChI=1S/C23H22N2O4S2/c1-16-3-10-20(11-4-16)31(26,27)29-14-2-13-28-19-9-12-21-22(15-19)30-23(25-21)17-5-7-18(24)8-6-17/h3-12,15H,2,13-14,24H2,1H3