N-[3-(3H-benzimidazol-5-yl)-1-(4-methylpiperidin-1-yl)-1-oxidanylidene-propan-2-yl]quinoline-8-sulfonamide

Systemtic Name: N-[3-(3H-benzimidazol-5-yl)-1-(4-methylpiperidin-1-yl)-1-oxidanylidene-propan-2-yl]quinoline-8-sulfonamide Openeye Name: N-[1-(3H-benzimidazol-5-ylmethyl)-2-(4-methyl-1-piperidyl)-2-oxo-ethyl]quinoline-8-sulfonamide CAS Name: N-[3-(3H-benzimidazol-5-yl)-1-(4-methyl-1-piperidinyl)-1-oxopropan-2-yl]-8-quinolinesulfonamide IUPAC Name: N-[3-(3H-benzimidazol-5-yl)-1-(4-methylpiperidin-1-yl)-1-oxopropan-2-yl]quinoline-8-sulfonamide Traditional Name: N-[1-(3H-benzimidazol-5-ylmethyl)-2-keto-2-(4-methylpiperidino)ethyl]quinoline-8-sulfonamide Formula: C25H27N5O3S MolecularWeight: 477.57858

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC1)C(=O)C(CC2=CC3=C(C=C2)N=CN3)NS(=O)(=O)C4=CC=CC5=C4N=CC=C5

Isomeric SMILES

CC1CCN(CC1)C(=O)C(CC2=CC3=C(C=C2)N=CN3)NS(=O)(=O)C4=CC=CC5=C4N=CC=C5

InChI

InChI=1S/C25H27N5O3S/c1-17-9-12-30(13-10-17)25(31)22(15-18-7-8-20-21(14-18)28-16-27-20)29-34(32,33)23-6-2-4-19-5-3-11-26-24(19)23/h2-8,11,14,16-17,22,29H,9-10,12-13,15H2,1H3,(H,27,28)