N3-cyclopropyl-N1-(4-methylsulfanylphenyl)benzene-1,3-disulfonamide

Systemtic Name: N3-cyclopropyl-N1-(4-methylsulfanylphenyl)benzene-1,3-disulfonamide Openeye Name: N3-cyclopropyl-N1-(4-methylsulfanylphenyl)benzene-1,3-disulfonamide CAS Name: N3-cyclopropyl-N1-[4-(methylthio)phenyl]benzene-1,3-disulfonamide IUPAC Name: 3-N-cyclopropyl-1-N-(4-methylsulfanylphenyl)benzene-1,3-disulfonamide Traditional Name: N'-cyclopropyl-N-[4-(methylthio)phenyl]benzene-1,3-disulfonamide Formula: C16H18N2O4S3 MolecularWeight: 398.52012

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=C(C=C1)NS(=O)(=O)C2=CC(=CC=C2)S(=O)(=O)NC3CC3

Isomeric SMILES

CSC1=CC=C(C=C1)NS(=O)(=O)C2=CC(=CC=C2)S(=O)(=O)NC3CC3

InChI

InChI=1S/C16H18N2O4S3/c1-23-14-9-7-13(8-10-14)18-25(21,22)16-4-2-3-15(11-16)24(19,20)17-12-5-6-12/h2-4,7-12,17-18H,5-6H2,1H3