[4-(1,3-dithiolan-2-yl)phenyl] 4-[(4-methoxyphenyl)sulfonyl-methyl-amino]butanoate

Systemtic Name: [4-(1,3-dithiolan-2-yl)phenyl] 4-[(4-methoxyphenyl)sulfonyl-methyl-amino]butanoate Openeye Name: [4-(1,3-dithiolan-2-yl)phenyl] 4-[(4-methoxyphenyl)sulfonyl-methyl-amino]butanoate CAS Name: 4-[(4-methoxyphenyl)sulfonyl-methylamino]butanoic acid [4-(1,3-dithiolan-2-yl)phenyl] ester IUPAC Name: [4-(1,3-dithiolan-2-yl)phenyl] 4-[(4-methoxyphenyl)sulfonyl-methylamino]butanoate Traditional Name: 4-[(4-methoxyphenyl)sulfonyl-methyl-amino]butyric acid [4-(1,3-dithiolan-2-yl)phenyl] ester Formula: C21H25NO5S3 MolecularWeight: 467.6219

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCCC(=O)OC1=CC=C(C=C1)C2SCCS2)S(=O)(=O)C3=CC=C(C=C3)OC

Isomeric SMILES

CN(CCCC(=O)OC1=CC=C(C=C1)C2SCCS2)S(=O)(=O)C3=CC=C(C=C3)OC

InChI

InChI=1S/C21H25NO5S3/c1-22(30(24,25)19-11-9-17(26-2)10-12-19)13-3-4-20(23)27-18-7-5-16(6-8-18)21-28-14-15-29-21/h5-12,21H,3-4,13-15H2,1-2H3