N-[[1-[2-(4-pyridin-4-ylpiperazin-1-yl)ethanoyl]piperidin-4-yl]methyl]butane-1-sulfonamide

Systemtic Name: N-[[1-[2-(4-pyridin-4-ylpiperazin-1-yl)ethanoyl]piperidin-4-yl]methyl]butane-1-sulfonamide Openeye Name: N-[[1-[2-[4-(4-pyridyl)piperazin-1-yl]acetyl]-4-piperidyl]methyl]butane-1-sulfonamide CAS Name: N-[[1-[1-oxo-2-(4-pyridin-4-yl-1-piperazinyl)ethyl]-4-piperidinyl]methyl]-1-butanesulfonamide IUPAC Name: N-[[1-[2-(4-pyridin-4-ylpiperazin-1-yl)acetyl]piperidin-4-yl]methyl]butane-1-sulfonamide Traditional Name: N-[[1-[2-[4-(4-pyridyl)piperazino]acetyl]-4-piperidyl]methyl]butane-1-sulfonamide Formula: C21H35N5O3S MolecularWeight: 437.5993

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCS(=O)(=O)NCC1CCN(CC1)C(=O)CN2CCN(CC2)C3=CC=NC=C3

Isomeric SMILES

CCCCS(=O)(=O)NCC1CCN(CC1)C(=O)CN2CCN(CC2)C3=CC=NC=C3

InChI

InChI=1S/C21H35N5O3S/c1-2-3-16-30(28,29)23-17-19-6-10-26(11-7-19)21(27)18-24-12-14-25(15-13-24)20-4-8-22-9-5-20/h4-5,8-9,19,23H,2-3,6-7,10-18H2,1H3