4-[4-(1,3-benzothiazol-2-yl)piperazin-1-yl]sulfonyl-N-cyclopentyl-benzenesulfonamide

Systemtic Name: 4-[4-(1,3-benzothiazol-2-yl)piperazin-1-yl]sulfonyl-N-cyclopentyl-benzenesulfonamide Openeye Name: 4-[4-(1,3-benzothiazol-2-yl)piperazin-1-yl]sulfonyl-N-cyclopentyl-benzenesulfonamide CAS Name: 4-[[4-(1,3-benzothiazol-2-yl)-1-piperazinyl]sulfonyl]-N-cyclopentylbenzenesulfonamide IUPAC Name: 4-[4-(1,3-benzothiazol-2-yl)piperazin-1-yl]sulfonyl-N-cyclopentylbenzenesulfonamide Traditional Name: 4-[4-(1,3-benzothiazol-2-yl)piperazino]sulfonyl-N-cyclopentyl-benzenesulfonamide Formula: C22H26N4O4S3 MolecularWeight: 506.66124

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)NS(=O)(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCN(CC3)C4=NC5=CC=CC=C5S4

Isomeric SMILES

C1CCC(C1)NS(=O)(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCN(CC3)C4=NC5=CC=CC=C5S4

InChI

InChI=1S/C22H26N4O4S3/c27-32(28,24-17-5-1-2-6-17)18-9-11-19(12-10-18)33(29,30)26-15-13-25(14-16-26)22-23-20-7-3-4-8-21(20)31-22/h3-4,7-12,17,24H,1-2,5-6,13-16H2