4-tert-butyl-2,6-dimethyl-N-[2-(propylamino)-5-sulfamoyl-phenyl]benzenesulfonamide

Systemtic Name: 4-tert-butyl-2,6-dimethyl-N-[2-(propylamino)-5-sulfamoyl-phenyl]benzenesulfonamide Openeye Name: 4-tert-butyl-2,6-dimethyl-N-[2-(propylamino)-5-sulfamoyl-phenyl]benzenesulfonamide CAS Name: 4-tert-butyl-2,6-dimethyl-N-[2-(propylamino)-5-sulfamoylphenyl]benzenesulfonamide IUPAC Name: 4-tert-butyl-2,6-dimethyl-N-[2-(propylamino)-5-sulfamoylphenyl]benzenesulfonamide Traditional Name: 4-tert-butyl-2,6-dimethyl-N-[2-(propylamino)-5-sulfamoyl-phenyl]benzenesulfonamide Formula: C21H31N3O4S2 MolecularWeight: 453.61854

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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=C(C=C2C)C(C)(C)C)C

Isomeric SMILES

CCCNC1=C(C=C(C=C1)S(=O)(=O)N)NS(=O)(=O)C2=C(C=C(C=C2C)C(C)(C)C)C

InChI

InChI=1S/C21H31N3O4S2/c1-7-10-23-18-9-8-17(29(22,25)26)13-19(18)24-30(27,28)20-14(2)11-16(12-15(20)3)21(4,5)6/h8-9,11-13,23-24H,7,10H2,1-6H3,(H2,22,25,26)