3-[4-[(4-cyanophenyl)methyl]piperazin-1-yl]sulfonylbenzenesulfonamide

Systemtic Name: 3-[4-[(4-cyanophenyl)methyl]piperazin-1-yl]sulfonylbenzenesulfonamide Openeye Name: 3-[4-[(4-cyanophenyl)methyl]piperazin-1-yl]sulfonylbenzenesulfonamide CAS Name: 3-[[4-[(4-cyanophenyl)methyl]-1-piperazinyl]sulfonyl]benzenesulfonamide IUPAC Name: 3-[4-[(4-cyanophenyl)methyl]piperazin-1-yl]sulfonylbenzenesulfonamide Traditional Name: 3-[4-(4-cyanobenzyl)piperazino]sulfonylbenzenesulfonamide Formula: C18H20N4O4S2 MolecularWeight: 420.5058

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC=C(C=C2)C#N)S(=O)(=O)C3=CC(=CC=C3)S(=O)(=O)N

Isomeric SMILES

C1CN(CCN1CC2=CC=C(C=C2)C#N)S(=O)(=O)C3=CC(=CC=C3)S(=O)(=O)N

InChI

InChI=1S/C18H20N4O4S2/c19-13-15-4-6-16(7-5-15)14-21-8-10-22(11-9-21)28(25,26)18-3-1-2-17(12-18)27(20,23)24/h1-7,12H,8-11,14H2,(H2,20,23,24)