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

Systemtic Name: N-[1-[2-(oxidanylidenemethylidene)-3-(propan-2-ylamino)-4-pyridin-2-yl-piperazin-1-yl]indol-5-yl]-2-piperidin-1-yl-ethanesulfonamide Openeye Name: N-[1-[3-(isopropylamino)-2-(oxomethylene)-4-(2-pyridyl)piperazin-1-yl]indol-5-yl]-2-(1-piperidyl)ethanesulfonamide CAS Name: N-[1-[2-(oxomethylidene)-3-(propan-2-ylamino)-4-(2-pyridinyl)-1-piperazinyl]-5-indolyl]-2-(1-piperidinyl)ethanesulfonamide IUPAC Name: N-[1-[2-(oxomethylidene)-3-(propan-2-ylamino)-4-pyridin-2-ylpiperazin-1-yl]indol-5-yl]-2-piperidin-1-ylethanesulfonamide Traditional Name: N-[1-[3-(isopropylamino)-2-(ketomethylene)-4-(2-pyridyl)piperazino]indol-5-yl]-2-piperidino-ethanesulfonamide Formula: C28H37N7O3S MolecularWeight: 551.70348

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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)CCN5CCCCC5

Isomeric SMILES

CC(C)NC1C(=C=O)N(CCN1C2=CC=CC=N2)N3C=CC4=C3C=CC(=C4)NS(=O)(=O)CCN5CCCCC5

InChI

InChI=1S/C28H37N7O3S/c1-22(2)30-28-26(21-36)35(17-16-33(28)27-8-4-5-12-29-27)34-15-11-23-20-24(9-10-25(23)34)31-39(37,38)19-18-32-13-6-3-7-14-32/h4-5,8-12,15,20,22,28,30-31H,3,6-7,13-14,16-19H2,1-2H3