N-[1-[(3-cyanophenyl)methyl]piperidin-4-yl]-N-(2-pyrrolidin-1-ylethyl)quinoline-8-sulfonamide

Systemtic Name: N-[1-[(3-cyanophenyl)methyl]piperidin-4-yl]-N-(2-pyrrolidin-1-ylethyl)quinoline-8-sulfonamide Openeye Name: N-[1-[(3-cyanophenyl)methyl]-4-piperidyl]-N-(2-pyrrolidin-1-ylethyl)quinoline-8-sulfonamide CAS Name: N-[1-[(3-cyanophenyl)methyl]-4-piperidinyl]-N-[2-(1-pyrrolidinyl)ethyl]-8-quinolinesulfonamide IUPAC Name: N-[1-[(3-cyanophenyl)methyl]piperidin-4-yl]-N-(2-pyrrolidin-1-ylethyl)quinoline-8-sulfonamide Traditional Name: N-[1-(3-cyanobenzyl)-4-piperidyl]-N-(2-pyrrolidinoethyl)quinoline-8-sulfonamide Formula: C28H33N5O2S MolecularWeight: 503.65892

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)CCN(C2CCN(CC2)CC3=CC=CC(=C3)C#N)S(=O)(=O)C4=CC=CC5=C4N=CC=C5

Isomeric SMILES

C1CCN(C1)CCN(C2CCN(CC2)CC3=CC=CC(=C3)C#N)S(=O)(=O)C4=CC=CC5=C4N=CC=C5

InChI

InChI=1S/C28H33N5O2S/c29-21-23-6-3-7-24(20-23)22-32-16-11-26(12-17-32)33(19-18-31-14-1-2-15-31)36(34,35)27-10-4-8-25-9-5-13-30-28(25)27/h3-10,13,20,26H,1-2,11-12,14-19,22H2