1,3-benzothiazol-2-ylmethyl 4-[(3,4-dimethylphenyl)sulfonylamino]butanoate

Systemtic Name: 1,3-benzothiazol-2-ylmethyl 4-[(3,4-dimethylphenyl)sulfonylamino]butanoate Openeye Name: 1,3-benzothiazol-2-ylmethyl 4-[(3,4-dimethylphenyl)sulfonylamino]butanoate CAS Name: 4-[(3,4-dimethylphenyl)sulfonylamino]butanoic acid 1,3-benzothiazol-2-ylmethyl ester IUPAC Name: 1,3-benzothiazol-2-ylmethyl 4-[(3,4-dimethylphenyl)sulfonylamino]butanoate Traditional Name: 4-[(3,4-dimethylphenyl)sulfonylamino]butyric acid 1,3-benzothiazol-2-ylmethyl ester Formula: C20H22N2O4S2 MolecularWeight: 418.52968

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)NCCCC(=O)OCC2=NC3=CC=CC=C3S2)C

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)NCCCC(=O)OCC2=NC3=CC=CC=C3S2)C

InChI

InChI=1S/C20H22N2O4S2/c1-14-9-10-16(12-15(14)2)28(24,25)21-11-5-8-20(23)26-13-19-22-17-6-3-4-7-18(17)27-19/h3-4,6-7,9-10,12,21H,5,8,11,13H2,1-2H3