[1-[6-(methylsulfonylmethyl)indol-1-yl]-3-(propan-2-ylamino)-4-pyridin-2-yl-piperazin-2-ylidene]methanone

Systemtic Name: [1-[6-(methylsulfonylmethyl)indol-1-yl]-3-(propan-2-ylamino)-4-pyridin-2-yl-piperazin-2-ylidene]methanone Openeye Name: [3-(isopropylamino)-1-[6-(methylsulfonylmethyl)indol-1-yl]-4-(2-pyridyl)piperazin-2-ylidene]methanone CAS Name: [1-[6-(methylsulfonylmethyl)-1-indolyl]-3-(propan-2-ylamino)-4-(2-pyridinyl)-2-piperazinylidene]methanone IUPAC Name: [1-[6-(methylsulfonylmethyl)indol-1-yl]-3-(propan-2-ylamino)-4-pyridin-2-ylpiperazin-2-ylidene]methanone Traditional Name: [3-(isopropylamino)-1-[6-(mesylmethyl)indol-1-yl]-4-(2-pyridyl)piperazin-2-ylidene]methanone Formula: C23H27N5O3S MolecularWeight: 453.55718

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H27N5O3S/c1-17(2)25-23-21(15-29)28(13-12-26(23)22-6-4-5-10-24-22)27-11-9-19-8-7-18(14-20(19)27)16-32(3,30)31/h4-11,14,17,23,25H,12-13,16H2,1-3H3