1,3-benzothiazol-2-ylmethyl 2-chloranyl-5-[(4-methoxyphenyl)-prop-2-enyl-sulfamoyl]benzoate

Systemtic Name: 1,3-benzothiazol-2-ylmethyl 2-chloranyl-5-[(4-methoxyphenyl)-prop-2-enyl-sulfamoyl]benzoate Openeye Name: 1,3-benzothiazol-2-ylmethyl 5-[allyl-(4-methoxyphenyl)sulfamoyl]-2-chloro-benzoate CAS Name: 2-chloro-5-[(4-methoxyphenyl)-prop-2-enylsulfamoyl]benzoic acid 1,3-benzothiazol-2-ylmethyl ester IUPAC Name: 1,3-benzothiazol-2-ylmethyl 2-chloro-5-[(4-methoxyphenyl)-prop-2-enylsulfamoyl]benzoate Traditional Name: 5-[allyl-(4-methoxyphenyl)sulfamoyl]-2-chloro-benzoic acid 1,3-benzothiazol-2-ylmethyl ester Formula: C25H21ClN2O5S2 MolecularWeight: 529.02764

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)N(CC=C)S(=O)(=O)C2=CC(=C(C=C2)Cl)C(=O)OCC3=NC4=CC=CC=C4S3

Isomeric SMILES

COC1=CC=C(C=C1)N(CC=C)S(=O)(=O)C2=CC(=C(C=C2)Cl)C(=O)OCC3=NC4=CC=CC=C4S3

InChI

InChI=1S/C25H21ClN2O5S2/c1-3-14-28(17-8-10-18(32-2)11-9-17)35(30,31)19-12-13-21(26)20(15-19)25(29)33-16-24-27-22-6-4-5-7-23(22)34-24/h3-13,15H,1,14,16H2,2H3