[4-(1,3-dithiolan-2-yl)phenyl] 3-(cyclopentylsulfamoyl)-4-methoxy-benzoate

Systemtic Name: [4-(1,3-dithiolan-2-yl)phenyl] 3-(cyclopentylsulfamoyl)-4-methoxy-benzoate Openeye Name: [4-(1,3-dithiolan-2-yl)phenyl] 3-(cyclopentylsulfamoyl)-4-methoxy-benzoate CAS Name: 3-(cyclopentylsulfamoyl)-4-methoxybenzoic acid [4-(1,3-dithiolan-2-yl)phenyl] ester IUPAC Name: [4-(1,3-dithiolan-2-yl)phenyl] 3-(cyclopentylsulfamoyl)-4-methoxybenzoate Traditional Name: 3-(cyclopentylsulfamoyl)-4-methoxy-benzoic acid [4-(1,3-dithiolan-2-yl)phenyl] ester Formula: C22H25NO5S3 MolecularWeight: 479.6326

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)OC2=CC=C(C=C2)C3SCCS3)S(=O)(=O)NC4CCCC4

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)OC2=CC=C(C=C2)C3SCCS3)S(=O)(=O)NC4CCCC4

InChI

InChI=1S/C22H25NO5S3/c1-27-19-11-8-16(14-20(19)31(25,26)23-17-4-2-3-5-17)21(24)28-18-9-6-15(7-10-18)22-29-12-13-30-22/h6-11,14,17,22-23H,2-5,12-13H2,1H3