6-(4-butylsulfonylpiperazin-1-yl)-N-(3-phenylpropyl)pyridine-3-carboxamide

Systemtic Name: 6-(4-butylsulfonylpiperazin-1-yl)-N-(3-phenylpropyl)pyridine-3-carboxamide Openeye Name: 6-(4-butylsulfonylpiperazin-1-yl)-N-(3-phenylpropyl)pyridine-3-carboxamide CAS Name: 6-(4-butylsulfonyl-1-piperazinyl)-N-(3-phenylpropyl)-3-pyridinecarboxamide IUPAC Name: 6-(4-butylsulfonylpiperazin-1-yl)-N-(3-phenylpropyl)pyridine-3-carboxamide Traditional Name: 6-(4-butylsulfonylpiperazino)-N-(3-phenylpropyl)nicotinamide Formula: C23H32N4O3S MolecularWeight: 444.59018

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCS(=O)(=O)N1CCN(CC1)C2=NC=C(C=C2)C(=O)NCCCC3=CC=CC=C3

Isomeric SMILES

CCCCS(=O)(=O)N1CCN(CC1)C2=NC=C(C=C2)C(=O)NCCCC3=CC=CC=C3

InChI

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