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

Systemtic Name: N-(2-dimethylaminoethyl)-N-[1-[(2-methylsulfonylphenyl)methyl]piperidin-4-yl]quinoline-8-sulfonamide Openeye Name: N-(2-dimethylaminoethyl)-N-[1-[(2-methylsulfonylphenyl)methyl]-4-piperidyl]quinoline-8-sulfonamide CAS Name: N-(2-dimethylaminoethyl)-N-[1-[(2-methylsulfonylphenyl)methyl]-4-piperidinyl]-8-quinolinesulfonamide IUPAC Name: N-(2-dimethylaminoethyl)-N-[1-[(2-methylsulfonylphenyl)methyl]piperidin-4-yl]quinoline-8-sulfonamide Traditional Name: N-(2-dimethylaminoethyl)-N-[1-(2-mesylbenzyl)-4-piperidyl]quinoline-8-sulfonamide Formula: C26H34N4O4S2 MolecularWeight: 530.70256

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H34N4O4S2/c1-28(2)18-19-30(36(33,34)25-12-6-9-21-10-7-15-27-26(21)25)23-13-16-29(17-14-23)20-22-8-4-5-11-24(22)35(3,31)32/h4-12,15,23H,13-14,16-20H2,1-3H3