2-methyl-N-[2-[4-(phenylmethyl)piperazin-1-yl]-2-pyridin-3-yl-ethyl]quinoline-8-sulfonamide

Systemtic Name: 2-methyl-N-[2-[4-(phenylmethyl)piperazin-1-yl]-2-pyridin-3-yl-ethyl]quinoline-8-sulfonamide Openeye Name: N-[2-(4-benzylpiperazin-1-yl)-2-(3-pyridyl)ethyl]-2-methyl-quinoline-8-sulfonamide CAS Name: 2-methyl-N-[2-[4-(phenylmethyl)-1-piperazinyl]-2-(3-pyridinyl)ethyl]-8-quinolinesulfonamide IUPAC Name: N-[2-(4-benzylpiperazin-1-yl)-2-pyridin-3-ylethyl]-2-methylquinoline-8-sulfonamide Traditional Name: N-[2-(4-benzylpiperazino)-2-(3-pyridyl)ethyl]-2-methyl-quinoline-8-sulfonamide Formula: C28H31N5O2S MolecularWeight: 501.64304

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(C=CC=C2S(=O)(=O)NCC(C3=CN=CC=C3)N4CCN(CC4)CC5=CC=CC=C5)C=C1

Isomeric SMILES

CC1=NC2=C(C=CC=C2S(=O)(=O)NCC(C3=CN=CC=C3)N4CCN(CC4)CC5=CC=CC=C5)C=C1

InChI

InChI=1S/C28H31N5O2S/c1-22-12-13-24-9-5-11-27(28(24)31-22)36(34,35)30-20-26(25-10-6-14-29-19-25)33-17-15-32(16-18-33)21-23-7-3-2-4-8-23/h2-14,19,26,30H,15-18,20-21H2,1H3