1-[3-(4-fluorophenyl)-2-methyl-2-pyridin-2-yl-piperazin-1-yl]butane-1-sulfonic acid

Systemtic Name: 1-[3-(4-fluorophenyl)-2-methyl-2-pyridin-2-yl-piperazin-1-yl]butane-1-sulfonic acid Openeye Name: 1-[3-(4-fluorophenyl)-2-methyl-2-(2-pyridyl)piperazin-1-yl]butane-1-sulfonic acid CAS Name: 1-[3-(4-fluorophenyl)-2-methyl-2-(2-pyridinyl)-1-piperazinyl]-1-butanesulfonic acid IUPAC Name: 1-[3-(4-fluorophenyl)-2-methyl-2-pyridin-2-ylpiperazin-1-yl]butane-1-sulfonic acid Traditional Name: 1-[3-(4-fluorophenyl)-2-methyl-2-(2-pyridyl)piperazino]butane-1-sulfonic acid Formula: C20H26FN3O3S MolecularWeight: 407.502143

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(N1CCNC(C1(C)C2=CC=CC=N2)C3=CC=C(C=C3)F)S(=O)(=O)O

Isomeric SMILES

CCCC(N1CCNC(C1(C)C2=CC=CC=N2)C3=CC=C(C=C3)F)S(=O)(=O)O

InChI

InChI=1S/C20H26FN3O3S/c1-3-6-18(28(25,26)27)24-14-13-23-19(15-8-10-16(21)11-9-15)20(24,2)17-7-4-5-12-22-17/h4-5,7-12,18-19,23H,3,6,13-14H2,1-2H3,(H,25,26,27)