1,3-benzothiazol-2-ylmethyl 4-[(4-methoxyphenyl)sulfonyl-methyl-amino]butanoate

Systemtic Name: 1,3-benzothiazol-2-ylmethyl 4-[(4-methoxyphenyl)sulfonyl-methyl-amino]butanoate Openeye Name: 1,3-benzothiazol-2-ylmethyl 4-[(4-methoxyphenyl)sulfonyl-methyl-amino]butanoate CAS Name: 4-[(4-methoxyphenyl)sulfonyl-methylamino]butanoic acid 1,3-benzothiazol-2-ylmethyl ester IUPAC Name: 1,3-benzothiazol-2-ylmethyl 4-[(4-methoxyphenyl)sulfonyl-methylamino]butanoate Traditional Name: 4-[(4-methoxyphenyl)sulfonyl-methyl-amino]butyric acid 1,3-benzothiazol-2-ylmethyl ester Formula: C20H22N2O5S2 MolecularWeight: 434.52908

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCCC(=O)OCC1=NC2=CC=CC=C2S1)S(=O)(=O)C3=CC=C(C=C3)OC

Isomeric SMILES

CN(CCCC(=O)OCC1=NC2=CC=CC=C2S1)S(=O)(=O)C3=CC=C(C=C3)OC

InChI

InChI=1S/C20H22N2O5S2/c1-22(29(24,25)16-11-9-15(26-2)10-12-16)13-5-8-20(23)27-14-19-21-17-6-3-4-7-18(17)28-19/h3-4,6-7,9-12H,5,8,13-14H2,1-2H3