N-methyl-2-methylsulfonyl-5-[4-(4-phenylpiperazin-1-yl)butanoyl]benzenesulfonamide

Systemtic Name: N-methyl-2-methylsulfonyl-5-[4-(4-phenylpiperazin-1-yl)butanoyl]benzenesulfonamide Openeye Name: N-methyl-2-methylsulfonyl-5-[4-(4-phenylpiperazin-1-yl)butanoyl]benzenesulfonamide CAS Name: N-methyl-2-methylsulfonyl-5-[1-oxo-4-(4-phenyl-1-piperazinyl)butyl]benzenesulfonamide IUPAC Name: N-methyl-2-methylsulfonyl-5-[4-(4-phenylpiperazin-1-yl)butanoyl]benzenesulfonamide Traditional Name: 2-mesyl-N-methyl-5-[4-(4-phenylpiperazino)butanoyl]benzenesulfonamide Formula: C22H29N3O5S2 MolecularWeight: 479.61276

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CNS(=O)(=O)C1=C(C=CC(=C1)C(=O)CCCN2CCN(CC2)C3=CC=CC=C3)S(=O)(=O)C

Isomeric SMILES

CNS(=O)(=O)C1=C(C=CC(=C1)C(=O)CCCN2CCN(CC2)C3=CC=CC=C3)S(=O)(=O)C

InChI

InChI=1S/C22H29N3O5S2/c1-23-32(29,30)22-17-18(10-11-21(22)31(2,27)28)20(26)9-6-12-24-13-15-25(16-14-24)19-7-4-3-5-8-19/h3-5,7-8,10-11,17,23H,6,9,12-16H2,1-2H3