3-[5-azanyl-2-(1,3-benzothiazol-2-yl)phenoxy]propyl 4-methylbenzenesulfonate

Systemtic Name: 3-[5-azanyl-2-(1,3-benzothiazol-2-yl)phenoxy]propyl 4-methylbenzenesulfonate Openeye Name: 3-[5-amino-2-(1,3-benzothiazol-2-yl)phenoxy]propyl 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid 3-[5-amino-2-(1,3-benzothiazol-2-yl)phenoxy]propyl ester IUPAC Name: 3-[5-amino-2-(1,3-benzothiazol-2-yl)phenoxy]propyl 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid 3-[5-amino-2-(1,3-benzothiazol-2-yl)phenoxy]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=C(C=CC(=C2)N)C3=NC4=CC=CC=C4S3

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OCCCOC2=C(C=CC(=C2)N)C3=NC4=CC=CC=C4S3

InChI

InChI=1S/C23H22N2O4S2/c1-16-7-10-18(11-8-16)31(26,27)29-14-4-13-28-21-15-17(24)9-12-19(21)23-25-20-5-2-3-6-22(20)30-23/h2-3,5-12,15H,4,13-14,24H2,1H3