4-methylsulfanyl-2-(phenylsulfonylamino)-N-[(4-sulfamoylphenyl)methyl]butanamide

Systemtic Name: 4-methylsulfanyl-2-(phenylsulfonylamino)-N-[(4-sulfamoylphenyl)methyl]butanamide Openeye Name: 2-(benzenesulfonamido)-4-methylsulfanyl-N-[(4-sulfamoylphenyl)methyl]butanamide CAS Name: 2-(benzenesulfonamido)-4-(methylthio)-N-[(4-sulfamoylphenyl)methyl]butanamide IUPAC Name: 2-(benzenesulfonamido)-4-methylsulfanyl-N-[(4-sulfamoylphenyl)methyl]butanamide Traditional Name: 2-(benzenesulfonamido)-4-(methylthio)-N-(4-sulfamoylbenzyl)butyramide Formula: C18H23N3O5S3 MolecularWeight: 457.58732

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C(=O)NCC1=CC=C(C=C1)S(=O)(=O)N)NS(=O)(=O)C2=CC=CC=C2

Isomeric SMILES

CSCCC(C(=O)NCC1=CC=C(C=C1)S(=O)(=O)N)NS(=O)(=O)C2=CC=CC=C2

InChI

InChI=1S/C18H23N3O5S3/c1-27-12-11-17(21-29(25,26)16-5-3-2-4-6-16)18(22)20-13-14-7-9-15(10-8-14)28(19,23)24/h2-10,17,21H,11-13H2,1H3,(H,20,22)(H2,19,23,24)