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

Systemtic Name: N-(2-methoxyethyl)-N-[1-[(2-methylsulfonylphenyl)methyl]piperidin-4-yl]quinoline-8-sulfonamide Openeye Name: N-(2-methoxyethyl)-N-[1-[(2-methylsulfonylphenyl)methyl]-4-piperidyl]quinoline-8-sulfonamide CAS Name: N-(2-methoxyethyl)-N-[1-[(2-methylsulfonylphenyl)methyl]-4-piperidinyl]-8-quinolinesulfonamide IUPAC Name: N-(2-methoxyethyl)-N-[1-[(2-methylsulfonylphenyl)methyl]piperidin-4-yl]quinoline-8-sulfonamide Traditional Name: N-[1-(2-mesylbenzyl)-4-piperidyl]-N-(2-methoxyethyl)quinoline-8-sulfonamide Formula: C25H31N3O5S2 MolecularWeight: 517.66074

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Descriptors Computed from Structure

Canonical SMILES:

COCCN(C1CCN(CC1)CC2=CC=CC=C2S(=O)(=O)C)S(=O)(=O)C3=CC=CC4=C3N=CC=C4

Isomeric SMILES

COCCN(C1CCN(CC1)CC2=CC=CC=C2S(=O)(=O)C)S(=O)(=O)C3=CC=CC4=C3N=CC=C4

InChI

InChI=1S/C25H31N3O5S2/c1-33-18-17-28(35(31,32)24-11-5-8-20-9-6-14-26-25(20)24)22-12-15-27(16-13-22)19-21-7-3-4-10-23(21)34(2,29)30/h3-11,14,22H,12-13,15-19H2,1-2H3