N-[2-methoxy-5-[4-(4-pyridin-2-ylpiperazin-1-yl)butanoyl]phenyl]methanesulfonamide

Systemtic Name: N-[2-methoxy-5-[4-(4-pyridin-2-ylpiperazin-1-yl)butanoyl]phenyl]methanesulfonamide Openeye Name: N-[2-methoxy-5-[4-[4-(2-pyridyl)piperazin-1-yl]butanoyl]phenyl]methanesulfonamide CAS Name: N-[2-methoxy-5-[1-oxo-4-[4-(2-pyridinyl)-1-piperazinyl]butyl]phenyl]methanesulfonamide IUPAC Name: N-[2-methoxy-5-[4-(4-pyridin-2-ylpiperazin-1-yl)butanoyl]phenyl]methanesulfonamide Traditional Name: N-[2-methoxy-5-[4-[4-(2-pyridyl)piperazino]butanoyl]phenyl]methanesulfonamide Formula: C21H28N4O4S MolecularWeight: 432.53642

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)CCCN2CCN(CC2)C3=CC=CC=N3)NS(=O)(=O)C

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)CCCN2CCN(CC2)C3=CC=CC=N3)NS(=O)(=O)C

InChI

InChI=1S/C21H28N4O4S/c1-29-20-9-8-17(16-18(20)23-30(2,27)28)19(26)6-5-11-24-12-14-25(15-13-24)21-7-3-4-10-22-21/h3-4,7-10,16,23H,5-6,11-15H2,1-2H3