2-[3-(butanoylamino)phenyl]sulfanyl-N-(4-sulfamoylphenyl)butanamide

Systemtic Name: 2-[3-(butanoylamino)phenyl]sulfanyl-N-(4-sulfamoylphenyl)butanamide Openeye Name: 2-[3-(butanoylamino)phenyl]sulfanyl-N-(4-sulfamoylphenyl)butanamide CAS Name: 2-[[3-(1-oxobutylamino)phenyl]thio]-N-(4-sulfamoylphenyl)butanamide IUPAC Name: 2-[3-(butanoylamino)phenyl]sulfanyl-N-(4-sulfamoylphenyl)butanamide Traditional Name: 2-[(3-butyramidophenyl)thio]-N-(4-sulfamoylphenyl)butyramide Formula: C20H25N3O4S2 MolecularWeight: 435.5602

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)NC1=CC(=CC=C1)SC(CC)C(=O)NC2=CC=C(C=C2)S(=O)(=O)N

Isomeric SMILES

CCCC(=O)NC1=CC(=CC=C1)SC(CC)C(=O)NC2=CC=C(C=C2)S(=O)(=O)N

InChI

InChI=1S/C20H25N3O4S2/c1-3-6-19(24)22-15-7-5-8-16(13-15)28-18(4-2)20(25)23-14-9-11-17(12-10-14)29(21,26)27/h5,7-13,18H,3-4,6H2,1-2H3,(H,22,24)(H,23,25)(H2,21,26,27)