6-[4-(4-butan-2-ylphenyl)sulfonylpiperazin-1-yl]pyridine-3-carboxamide

Systemtic Name: 6-[4-(4-butan-2-ylphenyl)sulfonylpiperazin-1-yl]pyridine-3-carboxamide Openeye Name: 6-[4-(4-sec-butylphenyl)sulfonylpiperazin-1-yl]pyridine-3-carboxamide CAS Name: 6-[4-(4-butan-2-ylphenyl)sulfonyl-1-piperazinyl]-3-pyridinecarboxamide IUPAC Name: 6-[4-(4-butan-2-ylphenyl)sulfonylpiperazin-1-yl]pyridine-3-carboxamide Traditional Name: 6-[4-(4-sec-butylphenyl)sulfonylpiperazino]nicotinamide Formula: C20H26N4O3S MolecularWeight: 402.51044

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C3=NC=C(C=C3)C(=O)N

Isomeric SMILES

CCC(C)C1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C3=NC=C(C=C3)C(=O)N

InChI

InChI=1S/C20H26N4O3S/c1-3-15(2)16-4-7-18(8-5-16)28(26,27)24-12-10-23(11-13-24)19-9-6-17(14-22-19)20(21)25/h4-9,14-15H,3,10-13H2,1-2H3,(H2,21,25)