4-[4-[1-(1,3-benzothiazol-2-yl)ethyl]piperazin-1-yl]sulfonylbenzenesulfonamide

Systemtic Name: 4-[4-[1-(1,3-benzothiazol-2-yl)ethyl]piperazin-1-yl]sulfonylbenzenesulfonamide Openeye Name: 4-[4-[1-(1,3-benzothiazol-2-yl)ethyl]piperazin-1-yl]sulfonylbenzenesulfonamide CAS Name: 4-[[4-[1-(1,3-benzothiazol-2-yl)ethyl]-1-piperazinyl]sulfonyl]benzenesulfonamide IUPAC Name: 4-[4-[1-(1,3-benzothiazol-2-yl)ethyl]piperazin-1-yl]sulfonylbenzenesulfonamide Traditional Name: 4-[4-[1-(1,3-benzothiazol-2-yl)ethyl]piperazino]sulfonylbenzenesulfonamide Formula: C19H22N4O4S3 MolecularWeight: 466.59738

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=NC2=CC=CC=C2S1)N3CCN(CC3)S(=O)(=O)C4=CC=C(C=C4)S(=O)(=O)N

Isomeric SMILES

CC(C1=NC2=CC=CC=C2S1)N3CCN(CC3)S(=O)(=O)C4=CC=C(C=C4)S(=O)(=O)N

InChI

InChI=1S/C19H22N4O4S3/c1-14(19-21-17-4-2-3-5-18(17)28-19)22-10-12-23(13-11-22)30(26,27)16-8-6-15(7-9-16)29(20,24)25/h2-9,14H,10-13H2,1H3,(H2,20,24,25)