N-[2-[4-[2-(4-pyridin-4-ylpiperazin-1-yl)ethanoyl]phenyl]ethyl]butane-1-sulfonamide

Systemtic Name: N-[2-[4-[2-(4-pyridin-4-ylpiperazin-1-yl)ethanoyl]phenyl]ethyl]butane-1-sulfonamide Openeye Name: N-[2-[4-[2-[4-(4-pyridyl)piperazin-1-yl]acetyl]phenyl]ethyl]butane-1-sulfonamide CAS Name: N-[2-[4-[1-oxo-2-(4-pyridin-4-yl-1-piperazinyl)ethyl]phenyl]ethyl]-1-butanesulfonamide IUPAC Name: N-[2-[4-[2-(4-pyridin-4-ylpiperazin-1-yl)acetyl]phenyl]ethyl]butane-1-sulfonamide Traditional Name: N-[2-[4-[2-[4-(4-pyridyl)piperazino]acetyl]phenyl]ethyl]butane-1-sulfonamide Formula: C23H32N4O3S MolecularWeight: 444.59018

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Descriptors Computed from Structure

Canonical SMILES:

CCCCS(=O)(=O)NCCC1=CC=C(C=C1)C(=O)CN2CCN(CC2)C3=CC=NC=C3

Isomeric SMILES

CCCCS(=O)(=O)NCCC1=CC=C(C=C1)C(=O)CN2CCN(CC2)C3=CC=NC=C3

InChI

InChI=1S/C23H32N4O3S/c1-2-3-18-31(29,30)25-13-8-20-4-6-21(7-5-20)23(28)19-26-14-16-27(17-15-26)22-9-11-24-12-10-22/h4-7,9-12,25H,2-3,8,13-19H2,1H3