2-chloranyl-3-[[4-(phenylmethyl)sulfonylpiperazin-1-yl]methyl]quinoline

Systemtic Name: 2-chloranyl-3-[[4-(phenylmethyl)sulfonylpiperazin-1-yl]methyl]quinoline Openeye Name: 3-[(4-benzylsulfonylpiperazin-1-yl)methyl]-2-chloro-quinoline CAS Name: 2-chloro-3-[[4-(phenylmethyl)sulfonyl-1-piperazinyl]methyl]quinoline IUPAC Name: 3-[(4-benzylsulfonylpiperazin-1-yl)methyl]-2-chloroquinoline Traditional Name: 3-[(4-benzylsulfonylpiperazino)methyl]-2-chloro-quinoline Formula: C21H22ClN3O2S MolecularWeight: 415.93628

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC3=CC=CC=C3N=C2Cl)S(=O)(=O)CC4=CC=CC=C4

Isomeric SMILES

C1CN(CCN1CC2=CC3=CC=CC=C3N=C2Cl)S(=O)(=O)CC4=CC=CC=C4

InChI

InChI=1S/C21H22ClN3O2S/c22-21-19(14-18-8-4-5-9-20(18)23-21)15-24-10-12-25(13-11-24)28(26,27)16-17-6-2-1-3-7-17/h1-9,14H,10-13,15-16H2