4-methoxy-3-[4-(3-methylbutanoyl)piperazin-1-yl]-N-(3-morpholin-4-ylpropyl)benzenesulfonamide

Systemtic Name: 4-methoxy-3-[4-(3-methylbutanoyl)piperazin-1-yl]-N-(3-morpholin-4-ylpropyl)benzenesulfonamide Openeye Name: 4-methoxy-3-[4-(3-methylbutanoyl)piperazin-1-yl]-N-(3-morpholinopropyl)benzenesulfonamide CAS Name: 4-methoxy-3-[4-(3-methyl-1-oxobutyl)-1-piperazinyl]-N-[3-(4-morpholinyl)propyl]benzenesulfonamide IUPAC Name: 4-methoxy-3-[4-(3-methylbutanoyl)piperazin-1-yl]-N-(3-morpholin-4-ylpropyl)benzenesulfonamide Traditional Name: 3-(4-isovalerylpiperazino)-4-methoxy-N-(3-morpholinopropyl)benzenesulfonamide Formula: C23H38N4O5S MolecularWeight: 482.63662

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(=O)N1CCN(CC1)C2=C(C=CC(=C2)S(=O)(=O)NCCCN3CCOCC3)OC

Isomeric SMILES

CC(C)CC(=O)N1CCN(CC1)C2=C(C=CC(=C2)S(=O)(=O)NCCCN3CCOCC3)OC

InChI

InChI=1S/C23H38N4O5S/c1-19(2)17-23(28)27-11-9-26(10-12-27)21-18-20(5-6-22(21)31-3)33(29,30)24-7-4-8-25-13-15-32-16-14-25/h5-6,18-19,24H,4,7-17H2,1-3H3