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

Systemtic Name: N-(cyclopropylmethyl)-N-[1-[(2-methylsulfonylphenyl)methyl]piperidin-4-yl]quinoline-8-sulfonamide Openeye Name: N-(cyclopropylmethyl)-N-[1-[(2-methylsulfonylphenyl)methyl]-4-piperidyl]quinoline-8-sulfonamide CAS Name: N-(cyclopropylmethyl)-N-[1-[(2-methylsulfonylphenyl)methyl]-4-piperidinyl]-8-quinolinesulfonamide IUPAC Name: N-(cyclopropylmethyl)-N-[1-[(2-methylsulfonylphenyl)methyl]piperidin-4-yl]quinoline-8-sulfonamide Traditional Name: N-(cyclopropylmethyl)-N-[1-(2-mesylbenzyl)-4-piperidyl]quinoline-8-sulfonamide Formula: C26H31N3O4S2 MolecularWeight: 513.67204

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=CC=C1CN2CCC(CC2)N(CC3CC3)S(=O)(=O)C4=CC=CC5=C4N=CC=C5

Isomeric SMILES

CS(=O)(=O)C1=CC=CC=C1CN2CCC(CC2)N(CC3CC3)S(=O)(=O)C4=CC=CC5=C4N=CC=C5

InChI

InChI=1S/C26H31N3O4S2/c1-34(30,31)24-9-3-2-6-22(24)19-28-16-13-23(14-17-28)29(18-20-11-12-20)35(32,33)25-10-4-7-21-8-5-15-27-26(21)25/h2-10,15,20,23H,11-14,16-19H2,1H3