N3-[[4-(propan-2-ylsulfamoylmethyl)phenyl]methyl]benzene-1,3-disulfonamide

Systemtic Name: N3-[[4-(propan-2-ylsulfamoylmethyl)phenyl]methyl]benzene-1,3-disulfonamide Openeye Name: N3-[[4-(isopropylsulfamoylmethyl)phenyl]methyl]benzene-1,3-disulfonamide CAS Name: N3-[[4-(propan-2-ylsulfamoylmethyl)phenyl]methyl]benzene-1,3-disulfonamide IUPAC Name: 3-N-[[4-(propan-2-ylsulfamoylmethyl)phenyl]methyl]benzene-1,3-disulfonamide Traditional Name: N'-[4-(isopropylsulfamoylmethyl)benzyl]benzene-1,3-disulfonamide Formula: C17H23N3O6S3 MolecularWeight: 461.57602

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NS(=O)(=O)CC1=CC=C(C=C1)CNS(=O)(=O)C2=CC=CC(=C2)S(=O)(=O)N

Isomeric SMILES

CC(C)NS(=O)(=O)CC1=CC=C(C=C1)CNS(=O)(=O)C2=CC=CC(=C2)S(=O)(=O)N

InChI

InChI=1S/C17H23N3O6S3/c1-13(2)20-27(21,22)12-15-8-6-14(7-9-15)11-19-29(25,26)17-5-3-4-16(10-17)28(18,23)24/h3-10,13,19-20H,11-12H2,1-2H3,(H2,18,23,24)