4-[4-[(1-cyanoindolizin-2-yl)methyl]piperazin-1-yl]sulfonylbenzenesulfonamide

Systemtic Name: 4-[4-[(1-cyanoindolizin-2-yl)methyl]piperazin-1-yl]sulfonylbenzenesulfonamide Openeye Name: 4-[4-[(1-cyanoindolizin-2-yl)methyl]piperazin-1-yl]sulfonylbenzenesulfonamide CAS Name: 4-[[4-[(1-cyano-2-indolizinyl)methyl]-1-piperazinyl]sulfonyl]benzenesulfonamide IUPAC Name: 4-[4-[(1-cyanoindolizin-2-yl)methyl]piperazin-1-yl]sulfonylbenzenesulfonamide Traditional Name: 4-[4-[(1-cyanoindolizin-2-yl)methyl]piperazino]sulfonylbenzenesulfonamide Formula: C20H21N5O4S2 MolecularWeight: 459.54184

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CN3C=CC=CC3=C2C#N)S(=O)(=O)C4=CC=C(C=C4)S(=O)(=O)N

Isomeric SMILES

C1CN(CCN1CC2=CN3C=CC=CC3=C2C#N)S(=O)(=O)C4=CC=C(C=C4)S(=O)(=O)N

InChI

InChI=1S/C20H21N5O4S2/c21-13-19-16(15-24-8-2-1-3-20(19)24)14-23-9-11-25(12-10-23)31(28,29)18-6-4-17(5-7-18)30(22,26)27/h1-8,15H,9-12,14H2,(H2,22,26,27)