2-[4-[(2-methylsulfonylphenyl)methyl]piperazin-1-yl]-8-thiophen-3-yl-quinoline

Systemtic Name: 2-[4-[(2-methylsulfonylphenyl)methyl]piperazin-1-yl]-8-thiophen-3-yl-quinoline Openeye Name: 2-[4-[(2-methylsulfonylphenyl)methyl]piperazin-1-yl]-8-(3-thienyl)quinoline CAS Name: 2-[4-[(2-methylsulfonylphenyl)methyl]-1-piperazinyl]-8-(3-thiophenyl)quinoline IUPAC Name: 2-[4-[(2-methylsulfonylphenyl)methyl]piperazin-1-yl]-8-thiophen-3-ylquinoline Traditional Name: 2-[4-(2-mesylbenzyl)piperazino]-8-(3-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=CSC=C5)C=C3

Isomeric SMILES

CS(=O)(=O)C1=CC=CC=C1CN2CCN(CC2)C3=NC4=C(C=CC=C4C5=CSC=C5)C=C3

InChI

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