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

Systemtic Name: N-[4-[2-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]ethyl]phenyl]-4-cyano-benzenesulfonamide Openeye Name: N-[4-[2-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]ethyl]phenyl]-4-cyano-benzenesulfonamide CAS Name: N-[4-[2-[4-(1,2-benzothiazol-3-yl)-1-piperazinyl]ethyl]phenyl]-4-cyanobenzenesulfonamide IUPAC Name: N-[4-[2-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]ethyl]phenyl]-4-cyanobenzenesulfonamide Traditional Name: N-[4-[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=C(C=C2)NS(=O)(=O)C3=CC=C(C=C3)C#N)C4=NSC5=CC=CC=C54

Isomeric SMILES

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

InChI

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