N-[1-[4-(phenylmethyl)piperazin-1-yl]-1-thiophen-2-yl-propan-2-yl]quinoline-8-sulfonamide

Systemtic Name: N-[1-[4-(phenylmethyl)piperazin-1-yl]-1-thiophen-2-yl-propan-2-yl]quinoline-8-sulfonamide Openeye Name: N-[2-(4-benzylpiperazin-1-yl)-1-methyl-2-(2-thienyl)ethyl]quinoline-8-sulfonamide CAS Name: N-[1-[4-(phenylmethyl)-1-piperazinyl]-1-thiophen-2-ylpropan-2-yl]-8-quinolinesulfonamide IUPAC Name: N-[1-(4-benzylpiperazin-1-yl)-1-thiophen-2-ylpropan-2-yl]quinoline-8-sulfonamide Traditional Name: N-[2-(4-benzylpiperazino)-1-methyl-2-(2-thienyl)ethyl]quinoline-8-sulfonamide Formula: C27H30N4O2S2 MolecularWeight: 506.6827

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(C1=CC=CS1)N2CCN(CC2)CC3=CC=CC=C3)NS(=O)(=O)C4=CC=CC5=C4N=CC=C5

Isomeric SMILES

CC(C(C1=CC=CS1)N2CCN(CC2)CC3=CC=CC=C3)NS(=O)(=O)C4=CC=CC5=C4N=CC=C5

InChI

InChI=1S/C27H30N4O2S2/c1-21(29-35(32,33)25-13-5-10-23-11-6-14-28-26(23)25)27(24-12-7-19-34-24)31-17-15-30(16-18-31)20-22-8-3-2-4-9-22/h2-14,19,21,27,29H,15-18,20H2,1H3