1,3-benzothiazol-2-ylmethyl 2-[4-[(4-acetamidophenyl)sulfonyl-methyl-amino]phenoxy]ethanoate

Systemtic Name: 1,3-benzothiazol-2-ylmethyl 2-[4-[(4-acetamidophenyl)sulfonyl-methyl-amino]phenoxy]ethanoate Openeye Name: 1,3-benzothiazol-2-ylmethyl 2-[4-[(4-acetamidophenyl)sulfonyl-methyl-amino]phenoxy]acetate CAS Name: 2-[4-[(4-acetamidophenyl)sulfonyl-methylamino]phenoxy]acetic acid 1,3-benzothiazol-2-ylmethyl ester IUPAC Name: 1,3-benzothiazol-2-ylmethyl 2-[4-[(4-acetamidophenyl)sulfonyl-methylamino]phenoxy]acetate Traditional Name: 2-[4-[(4-acetamidophenyl)sulfonyl-methyl-amino]phenoxy]acetic acid 1,3-benzothiazol-2-ylmethyl ester Formula: C25H23N3O6S2 MolecularWeight: 525.59662

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=C(C=C1)S(=O)(=O)N(C)C2=CC=C(C=C2)OCC(=O)OCC3=NC4=CC=CC=C4S3

Isomeric SMILES

CC(=O)NC1=CC=C(C=C1)S(=O)(=O)N(C)C2=CC=C(C=C2)OCC(=O)OCC3=NC4=CC=CC=C4S3

InChI

InChI=1S/C25H23N3O6S2/c1-17(29)26-18-7-13-21(14-8-18)36(31,32)28(2)19-9-11-20(12-10-19)33-16-25(30)34-15-24-27-22-5-3-4-6-23(22)35-24/h3-14H,15-16H2,1-2H3,(H,26,29)