N-(2-quinolin-8-ylethyl)-1-(2,4,6-trimethylphenyl)sulfonyl-piperidine-4-carboxamide

Systemtic Name: N-(2-quinolin-8-ylethyl)-1-(2,4,6-trimethylphenyl)sulfonyl-piperidine-4-carboxamide Openeye Name: N-[2-(8-quinolyl)ethyl]-1-(2,4,6-trimethylphenyl)sulfonyl-piperidine-4-carboxamide CAS Name: N-[2-(8-quinolinyl)ethyl]-1-(2,4,6-trimethylphenyl)sulfonyl-4-piperidinecarboxamide IUPAC Name: N-(2-quinolin-8-ylethyl)-1-(2,4,6-trimethylphenyl)sulfonylpiperidine-4-carboxamide Traditional Name: 1-mesitylsulfonyl-N-[2-(8-quinolyl)ethyl]isonipecotamide Formula: C26H31N3O3S MolecularWeight: 465.60764

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C)S(=O)(=O)N2CCC(CC2)C(=O)NCCC3=CC=CC4=C3N=CC=C4)C

Isomeric SMILES

CC1=CC(=C(C(=C1)C)S(=O)(=O)N2CCC(CC2)C(=O)NCCC3=CC=CC4=C3N=CC=C4)C

InChI

InChI=1S/C26H31N3O3S/c1-18-16-19(2)25(20(3)17-18)33(31,32)29-14-10-23(11-15-29)26(30)28-13-9-22-7-4-6-21-8-5-12-27-24(21)22/h4-8,12,16-17,23H,9-11,13-15H2,1-3H3,(H,28,30)