N-(4-cyanophenyl)-3-[4-(phenylmethyl)sulfonylpiperazin-1-yl]propanamide

Systemtic Name: N-(4-cyanophenyl)-3-[4-(phenylmethyl)sulfonylpiperazin-1-yl]propanamide Openeye Name: 3-(4-benzylsulfonylpiperazin-1-yl)-N-(4-cyanophenyl)propanamide CAS Name: N-(4-cyanophenyl)-3-[4-(phenylmethyl)sulfonyl-1-piperazinyl]propanamide IUPAC Name: 3-(4-benzylsulfonylpiperazin-1-yl)-N-(4-cyanophenyl)propanamide Traditional Name: 3-(4-benzylsulfonylpiperazino)-N-(4-cyanophenyl)propionamide Formula: C21H24N4O3S MolecularWeight: 412.50526

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCC(=O)NC2=CC=C(C=C2)C#N)S(=O)(=O)CC3=CC=CC=C3

Isomeric SMILES

C1CN(CCN1CCC(=O)NC2=CC=C(C=C2)C#N)S(=O)(=O)CC3=CC=CC=C3

InChI

InChI=1S/C21H24N4O3S/c22-16-18-6-8-20(9-7-18)23-21(26)10-11-24-12-14-25(15-13-24)29(27,28)17-19-4-2-1-3-5-19/h1-9H,10-15,17H2,(H,23,26)