4-(butylamino)-3-phenoxy-5-piperazin-1-ylcarbonyl-benzenesulfonamide

Systemtic Name: 4-(butylamino)-3-phenoxy-5-piperazin-1-ylcarbonyl-benzenesulfonamide Openeye Name: 4-(butylamino)-3-phenoxy-5-(piperazine-1-carbonyl)benzenesulfonamide CAS Name: 4-(butylamino)-3-[oxo(1-piperazinyl)methyl]-5-phenoxybenzenesulfonamide IUPAC Name: 4-(butylamino)-3-phenoxy-5-(piperazine-1-carbonyl)benzenesulfonamide Traditional Name: 4-(butylamino)-3-phenoxy-5-(piperazine-1-carbonyl)benzenesulfonamide Formula: C21H28N4O4S MolecularWeight: 432.53642

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC1=C(C=C(C=C1C(=O)N2CCNCC2)S(=O)(=O)N)OC3=CC=CC=C3

Isomeric SMILES

CCCCNC1=C(C=C(C=C1C(=O)N2CCNCC2)S(=O)(=O)N)OC3=CC=CC=C3

InChI

InChI=1S/C21H28N4O4S/c1-2-3-9-24-20-18(21(26)25-12-10-23-11-13-25)14-17(30(22,27)28)15-19(20)29-16-7-5-4-6-8-16/h4-8,14-15,23-24H,2-3,9-13H2,1H3,(H2,22,27,28)