N-[1-[2-(oxidanylidenemethylidene)-3-(propan-2-ylamino)-4-pyridin-2-yl-piperazin-1-yl]indol-5-yl]methanesulfonamide

Systemtic Name: N-[1-[2-(oxidanylidenemethylidene)-3-(propan-2-ylamino)-4-pyridin-2-yl-piperazin-1-yl]indol-5-yl]methanesulfonamide Openeye Name: N-[1-[3-(isopropylamino)-2-(oxomethylene)-4-(2-pyridyl)piperazin-1-yl]indol-5-yl]methanesulfonamide CAS Name: N-[1-[2-(oxomethylidene)-3-(propan-2-ylamino)-4-(2-pyridinyl)-1-piperazinyl]-5-indolyl]methanesulfonamide IUPAC Name: N-[1-[2-(oxomethylidene)-3-(propan-2-ylamino)-4-pyridin-2-ylpiperazin-1-yl]indol-5-yl]methanesulfonamide Traditional Name: N-[1-[3-(isopropylamino)-2-(ketomethylene)-4-(2-pyridyl)piperazino]indol-5-yl]methanesulfonamide Formula: C22H26N6O3S MolecularWeight: 454.54524

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC1C(=C=O)N(CCN1C2=CC=CC=N2)N3C=CC4=C3C=CC(=C4)NS(=O)(=O)C

Isomeric SMILES

CC(C)NC1C(=C=O)N(CCN1C2=CC=CC=N2)N3C=CC4=C3C=CC(=C4)NS(=O)(=O)C

InChI

InChI=1S/C22H26N6O3S/c1-16(2)24-22-20(15-29)28(13-12-26(22)21-6-4-5-10-23-21)27-11-9-17-14-18(7-8-19(17)27)25-32(3,30)31/h4-11,14,16,22,24-25H,12-13H2,1-3H3