N-[1-[(2-methylsulfonylphenyl)methyl]piperidin-4-yl]-N-(pyridin-3-ylmethyl)quinoline-8-sulfonamide

Systemtic Name: N-[1-[(2-methylsulfonylphenyl)methyl]piperidin-4-yl]-N-(pyridin-3-ylmethyl)quinoline-8-sulfonamide Openeye Name: N-[1-[(2-methylsulfonylphenyl)methyl]-4-piperidyl]-N-(3-pyridylmethyl)quinoline-8-sulfonamide CAS Name: N-[1-[(2-methylsulfonylphenyl)methyl]-4-piperidinyl]-N-(3-pyridinylmethyl)-8-quinolinesulfonamide IUPAC Name: N-[1-[(2-methylsulfonylphenyl)methyl]piperidin-4-yl]-N-(pyridin-3-ylmethyl)quinoline-8-sulfonamide Traditional Name: N-[1-(2-mesylbenzyl)-4-piperidyl]-N-(3-pyridylmethyl)quinoline-8-sulfonamide Formula: C28H30N4O4S2 MolecularWeight: 550.6922

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=CC=C1CN2CCC(CC2)N(CC3=CN=CC=C3)S(=O)(=O)C4=CC=CC5=C4N=CC=C5

Isomeric SMILES

CS(=O)(=O)C1=CC=CC=C1CN2CCC(CC2)N(CC3=CN=CC=C3)S(=O)(=O)C4=CC=CC5=C4N=CC=C5

InChI

InChI=1S/C28H30N4O4S2/c1-37(33,34)26-11-3-2-8-24(26)21-31-17-13-25(14-18-31)32(20-22-7-5-15-29-19-22)38(35,36)27-12-4-9-23-10-6-16-30-28(23)27/h2-12,15-16,19,25H,13-14,17-18,20-21H2,1H3