5-tert-butyl-2-methyl-N-[2-(propylamino)-5-sulfamoyl-phenyl]benzenesulfonamide

Systemtic Name: 5-tert-butyl-2-methyl-N-[2-(propylamino)-5-sulfamoyl-phenyl]benzenesulfonamide Openeye Name: 5-tert-butyl-2-methyl-N-[2-(propylamino)-5-sulfamoyl-phenyl]benzenesulfonamide CAS Name: 5-tert-butyl-2-methyl-N-[2-(propylamino)-5-sulfamoylphenyl]benzenesulfonamide IUPAC Name: 5-tert-butyl-2-methyl-N-[2-(propylamino)-5-sulfamoylphenyl]benzenesulfonamide Traditional Name: 5-tert-butyl-2-methyl-N-[2-(propylamino)-5-sulfamoyl-phenyl]benzenesulfonamide Formula: C20H29N3O4S2 MolecularWeight: 439.59196

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC1=C(C=C(C=C1)S(=O)(=O)N)NS(=O)(=O)C2=C(C=CC(=C2)C(C)(C)C)C

Isomeric SMILES

CCCNC1=C(C=C(C=C1)S(=O)(=O)N)NS(=O)(=O)C2=C(C=CC(=C2)C(C)(C)C)C

InChI

InChI=1S/C20H29N3O4S2/c1-6-11-22-17-10-9-16(28(21,24)25)13-18(17)23-29(26,27)19-12-15(20(3,4)5)8-7-14(19)2/h7-10,12-13,22-23H,6,11H2,1-5H3,(H2,21,24,25)