1-[2-(oxidanylidenemethylidene)-3-(propan-2-ylamino)-4-pyridin-2-yl-piperazin-1-yl]-2-(sulfinatoamino)indole

Systemtic Name: 1-[2-(oxidanylidenemethylidene)-3-(propan-2-ylamino)-4-pyridin-2-yl-piperazin-1-yl]-2-(sulfinatoamino)indole Openeye Name: 1-[3-(isopropylamino)-2-(oxomethylene)-4-(2-pyridyl)piperazin-1-yl]-2-(sulfinatoamino)indole CAS Name: 1-[2-(oxomethylidene)-3-(propan-2-ylamino)-4-(2-pyridinyl)-1-piperazinyl]-2-(sulfinatoamino)indole IUPAC Name: 1-[2-(oxomethylidene)-3-(propan-2-ylamino)-4-pyridin-2-ylpiperazin-1-yl]-2-(sulfinatoamino)indole Traditional Name: 1-[3-(isopropylamino)-2-(ketomethylene)-4-(2-pyridyl)piperazino]-2-(sulfinatoamino)indole Formula: C21H23N6O3S- MolecularWeight: 439.51072

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC1C(=C=O)N(CCN1C2=CC=CC=N2)N3C4=CC=CC=C4C=C3NS(=O)[O-]

Isomeric SMILES

CC(C)NC1C(=C=O)N(CCN1C2=CC=CC=N2)N3C4=CC=CC=C4C=C3NS(=O)[O-]

InChI

InChI=1S/C21H24N6O3S/c1-15(2)23-21-18(14-28)26(12-11-25(21)19-9-5-6-10-22-19)27-17-8-4-3-7-16(17)13-20(27)24-31(29)30/h3-10,13,15,21,23-24H,11-12H2,1-2H3,(H,29,30)/p-1