1-[6-(methylsulfonylmethyl)indol-1-yl]-4-[3-(propan-2-ylamino)pyridin-2-yl]piperazine-2-carbaldehyde

Systemtic Name: 1-[6-(methylsulfonylmethyl)indol-1-yl]-4-[3-(propan-2-ylamino)pyridin-2-yl]piperazine-2-carbaldehyde Openeye Name: 4-[3-(isopropylamino)-2-pyridyl]-1-[6-(methylsulfonylmethyl)indol-1-yl]piperazine-2-carbaldehyde CAS Name: 1-[6-(methylsulfonylmethyl)-1-indolyl]-4-[3-(propan-2-ylamino)-2-pyridinyl]-2-piperazinecarboxaldehyde IUPAC Name: 1-[6-(methylsulfonylmethyl)indol-1-yl]-4-[3-(propan-2-ylamino)pyridin-2-yl]piperazine-2-carbaldehyde Traditional Name: 4-[3-(isopropylamino)-2-pyridyl]-1-[6-(mesylmethyl)indol-1-yl]piperazine-2-carbaldehyde Formula: C23H29N5O3S MolecularWeight: 455.57306

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC1=C(N=CC=C1)N2CCN(C(C2)C=O)N3C=CC4=C3C=C(C=C4)CS(=O)(=O)C

Isomeric SMILES

CC(C)NC1=C(N=CC=C1)N2CCN(C(C2)C=O)N3C=CC4=C3C=C(C=C4)CS(=O)(=O)C

InChI

InChI=1S/C23H29N5O3S/c1-17(2)25-21-5-4-9-24-23(21)26-11-12-27(20(14-26)15-29)28-10-8-19-7-6-18(13-22(19)28)16-32(3,30)31/h4-10,13,15,17,20,25H,11-12,14,16H2,1-3H3