5-[(3S)-1,2-dithiolan-3-yl]-N-[5-[(2-methoxyphenyl)sulfamoyl]-2-oxidanyl-phenyl]pentanamide

Systemtic Name: 5-[(3S)-1,2-dithiolan-3-yl]-N-[5-[(2-methoxyphenyl)sulfamoyl]-2-oxidanyl-phenyl]pentanamide Openeye Name: 5-[(3S)-dithiolan-3-yl]-N-[2-hydroxy-5-[(2-methoxyphenyl)sulfamoyl]phenyl]pentanamide CAS Name: 5-[(3S)-3-dithiolanyl]-N-[2-hydroxy-5-[(2-methoxyphenyl)sulfamoyl]phenyl]pentanamide IUPAC Name: 5-[(3S)-dithiolan-3-yl]-N-[2-hydroxy-5-[(2-methoxyphenyl)sulfamoyl]phenyl]pentanamide Traditional Name: 5-[(3S)-dithiolan-3-yl]-N-[2-hydroxy-5-[(2-methoxyphenyl)sulfamoyl]phenyl]valeramide Formula: C21H26N2O5S3 MolecularWeight: 482.63654

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1NS(=O)(=O)C2=CC(=C(C=C2)O)NC(=O)CCCCC3CCSS3

Isomeric SMILES

COC1=CC=CC=C1NS(=O)(=O)C2=CC(=C(C=C2)O)NC(=O)CCCC[C@H]3CCSS3

InChI

InChI=1S/C21H26N2O5S3/c1-28-20-8-4-3-7-17(20)23-31(26,27)16-10-11-19(24)18(14-16)22-21(25)9-5-2-6-15-12-13-29-30-15/h3-4,7-8,10-11,14-15,23-24H,2,5-6,9,12-13H2,1H3,(H,22,25)/t15-/m0/s1