N-methyl-2-methylsulfanyl-5-[5-(4-phenylpiperazin-1-yl)pentanoyl]benzenesulfonamide

Systemtic Name: N-methyl-2-methylsulfanyl-5-[5-(4-phenylpiperazin-1-yl)pentanoyl]benzenesulfonamide Openeye Name: N-methyl-2-methylsulfanyl-5-[5-(4-phenylpiperazin-1-yl)pentanoyl]benzenesulfonamide CAS Name: N-methyl-2-(methylthio)-5-[1-oxo-5-(4-phenyl-1-piperazinyl)pentyl]benzenesulfonamide IUPAC Name: N-methyl-2-methylsulfanyl-5-[5-(4-phenylpiperazin-1-yl)pentanoyl]benzenesulfonamide Traditional Name: N-methyl-2-(methylthio)-5-[5-(4-phenylpiperazino)pentanoyl]benzenesulfonamide Formula: C23H31N3O3S2 MolecularWeight: 461.64054

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CNS(=O)(=O)C1=C(C=CC(=C1)C(=O)CCCCN2CCN(CC2)C3=CC=CC=C3)SC

Isomeric SMILES

CNS(=O)(=O)C1=C(C=CC(=C1)C(=O)CCCCN2CCN(CC2)C3=CC=CC=C3)SC

InChI

InChI=1S/C23H31N3O3S2/c1-24-31(28,29)23-18-19(11-12-22(23)30-2)21(27)10-6-7-13-25-14-16-26(17-15-25)20-8-4-3-5-9-20/h3-5,8-9,11-12,18,24H,6-7,10,13-17H2,1-2H3