[4-(4-butylphenyl)sulfonylpiperazin-1-yl]-pyridin-4-yl-methanone

Systemtic Name: [4-(4-butylphenyl)sulfonylpiperazin-1-yl]-pyridin-4-yl-methanone Openeye Name: [4-(4-butylphenyl)sulfonylpiperazin-1-yl]-(4-pyridyl)methanone CAS Name: [4-(4-butylphenyl)sulfonyl-1-piperazinyl]-pyridin-4-ylmethanone IUPAC Name: [4-(4-butylphenyl)sulfonylpiperazin-1-yl]-pyridin-4-ylmethanone Traditional Name: [4-(4-butylphenyl)sulfonylpiperazino]-(4-pyridyl)methanone Formula: C20H25N3O3S MolecularWeight: 387.4958

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)C3=CC=NC=C3

Isomeric SMILES

CCCCC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)C3=CC=NC=C3

InChI

InChI=1S/C20H25N3O3S/c1-2-3-4-17-5-7-19(8-6-17)27(25,26)23-15-13-22(14-16-23)20(24)18-9-11-21-12-10-18/h5-12H,2-4,13-16H2,1H3