1,3-benzothiazol-2-ylmethyl 3-[(4-chlorophenyl)sulfonylamino]propanoate

Systemtic Name: 1,3-benzothiazol-2-ylmethyl 3-[(4-chlorophenyl)sulfonylamino]propanoate Openeye Name: 1,3-benzothiazol-2-ylmethyl 3-[(4-chlorophenyl)sulfonylamino]propanoate CAS Name: 3-[(4-chlorophenyl)sulfonylamino]propanoic acid 1,3-benzothiazol-2-ylmethyl ester IUPAC Name: 1,3-benzothiazol-2-ylmethyl 3-[(4-chlorophenyl)sulfonylamino]propanoate Traditional Name: 3-[(4-chlorophenyl)sulfonylamino]propionic acid 1,3-benzothiazol-2-ylmethyl ester Formula: C17H15ClN2O4S2 MolecularWeight: 410.895

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C(S2)COC(=O)CCNS(=O)(=O)C3=CC=C(C=C3)Cl

Isomeric SMILES

C1=CC=C2C(=C1)N=C(S2)COC(=O)CCNS(=O)(=O)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C17H15ClN2O4S2/c18-12-5-7-13(8-6-12)26(22,23)19-10-9-17(21)24-11-16-20-14-3-1-2-4-15(14)25-16/h1-8,19H,9-11H2