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

Systemtic Name: N-(furan-2-ylmethyl)-N-[1-[(2-methylsulfonylphenyl)methyl]piperidin-4-yl]quinoline-8-sulfonamide Openeye Name: N-(2-furylmethyl)-N-[1-[(2-methylsulfonylphenyl)methyl]-4-piperidyl]quinoline-8-sulfonamide CAS Name: N-(2-furanylmethyl)-N-[1-[(2-methylsulfonylphenyl)methyl]-4-piperidinyl]-8-quinolinesulfonamide IUPAC Name: N-(furan-2-ylmethyl)-N-[1-[(2-methylsulfonylphenyl)methyl]piperidin-4-yl]quinoline-8-sulfonamide Traditional Name: N-(2-furfuryl)-N-[1-(2-mesylbenzyl)-4-piperidyl]quinoline-8-sulfonamide Formula: C27H29N3O5S2 MolecularWeight: 539.66626

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=CC=C1CN2CCC(CC2)N(CC3=CC=CO3)S(=O)(=O)C4=CC=CC5=C4N=CC=C5

Isomeric SMILES

CS(=O)(=O)C1=CC=CC=C1CN2CCC(CC2)N(CC3=CC=CO3)S(=O)(=O)C4=CC=CC5=C4N=CC=C5

InChI

InChI=1S/C27H29N3O5S2/c1-36(31,32)25-11-3-2-7-22(25)19-29-16-13-23(14-17-29)30(20-24-10-6-18-35-24)37(33,34)26-12-4-8-21-9-5-15-28-27(21)26/h2-12,15,18,23H,13-14,16-17,19-20H2,1H3