2-[4-[(2-methylsulfonylphenyl)methyl]piperazin-1-yl]-8-thiophen-2-yl-quinoline

Systemtic Name: 2-[4-[(2-methylsulfonylphenyl)methyl]piperazin-1-yl]-8-thiophen-2-yl-quinoline Openeye Name: 2-[4-[(2-methylsulfonylphenyl)methyl]piperazin-1-yl]-8-(2-thienyl)quinoline CAS Name: 2-[4-[(2-methylsulfonylphenyl)methyl]-1-piperazinyl]-8-thiophen-2-ylquinoline IUPAC Name: 2-[4-[(2-methylsulfonylphenyl)methyl]piperazin-1-yl]-8-thiophen-2-ylquinoline Traditional Name: 2-[4-(2-mesylbenzyl)piperazino]-8-(2-thienyl)quinoline Formula: C25H25N3O2S2 MolecularWeight: 463.6149

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=CC=C1CN2CCN(CC2)C3=NC4=C(C=CC=C4C5=CC=CS5)C=C3

Isomeric SMILES

CS(=O)(=O)C1=CC=CC=C1CN2CCN(CC2)C3=NC4=C(C=CC=C4C5=CC=CS5)C=C3

InChI

InChI=1S/C25H25N3O2S2/c1-32(29,30)23-10-3-2-6-20(23)18-27-13-15-28(16-14-27)24-12-11-19-7-4-8-21(25(19)26-24)22-9-5-17-31-22/h2-12,17H,13-16,18H2,1H3