N-[3-[2-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]ethyl]phenyl]-4-cyano-benzenesulfonamide

Systemtic Name: N-[3-[2-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]ethyl]phenyl]-4-cyano-benzenesulfonamide Openeye Name: N-[3-[2-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]ethyl]phenyl]-4-cyano-benzenesulfonamide CAS Name: N-[3-[2-[4-(1,2-benzothiazol-3-yl)-1-piperazinyl]ethyl]phenyl]-4-cyanobenzenesulfonamide IUPAC Name: N-[3-[2-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]ethyl]phenyl]-4-cyanobenzenesulfonamide Traditional Name: N-[3-[2-[4-(1,2-benzothiazol-3-yl)piperazino]ethyl]phenyl]-4-cyano-benzenesulfonamide Formula: C26H25N5O2S2 MolecularWeight: 503.639

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCC2=CC(=CC=C2)NS(=O)(=O)C3=CC=C(C=C3)C#N)C4=NSC5=CC=CC=C54

Isomeric SMILES

C1CN(CCN1CCC2=CC(=CC=C2)NS(=O)(=O)C3=CC=C(C=C3)C#N)C4=NSC5=CC=CC=C54

InChI

InChI=1S/C26H25N5O2S2/c27-19-21-8-10-23(11-9-21)35(32,33)29-22-5-3-4-20(18-22)12-13-30-14-16-31(17-15-30)26-24-6-1-2-7-25(24)34-28-26/h1-11,18,29H,12-17H2