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

Systemtic Name: 4-[4-(1,3-benzothiazol-2-yl)piperazin-1-yl]sulfonyl-N-cyclopropyl-benzenesulfonamide Openeye Name: 4-[4-(1,3-benzothiazol-2-yl)piperazin-1-yl]sulfonyl-N-cyclopropyl-benzenesulfonamide CAS Name: 4-[[4-(1,3-benzothiazol-2-yl)-1-piperazinyl]sulfonyl]-N-cyclopropylbenzenesulfonamide IUPAC Name: 4-[4-(1,3-benzothiazol-2-yl)piperazin-1-yl]sulfonyl-N-cyclopropylbenzenesulfonamide Traditional Name: 4-[4-(1,3-benzothiazol-2-yl)piperazino]sulfonyl-N-cyclopropyl-benzenesulfonamide Formula: C20H22N4O4S3 MolecularWeight: 478.60808

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1NS(=O)(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCN(CC3)C4=NC5=CC=CC=C5S4

Isomeric SMILES

C1CC1NS(=O)(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCN(CC3)C4=NC5=CC=CC=C5S4

InChI

InChI=1S/C20H22N4O4S3/c25-30(26,22-15-5-6-15)16-7-9-17(10-8-16)31(27,28)24-13-11-23(12-14-24)20-21-18-3-1-2-4-19(18)29-20/h1-4,7-10,15,22H,5-6,11-14H2