[2-[4-[3-(propan-2-ylamino)pyridin-2-yl]piperazin-1-yl]carbonyl-1H-indol-6-yl] methanesulfonate

Systemtic Name: [2-[4-[3-(propan-2-ylamino)pyridin-2-yl]piperazin-1-yl]carbonyl-1H-indol-6-yl] methanesulfonate Openeye Name: [2-[4-[3-(isopropylamino)-2-pyridyl]piperazine-1-carbonyl]-1H-indol-6-yl] methanesulfonate CAS Name: methanesulfonic acid [2-[oxo-[4-[3-(propan-2-ylamino)-2-pyridinyl]-1-piperazinyl]methyl]-1H-indol-6-yl] ester IUPAC Name: [2-[4-[3-(propan-2-ylamino)pyridin-2-yl]piperazine-1-carbonyl]-1H-indol-6-yl] methanesulfonate Traditional Name: methanesulfonic acid [2-[4-[3-(isopropylamino)-2-pyridyl]piperazine-1-carbonyl]-1H-indol-6-yl] ester Formula: C22H27N5O4S MolecularWeight: 457.54588

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC1=C(N=CC=C1)N2CCN(CC2)C(=O)C3=CC4=C(N3)C=C(C=C4)OS(=O)(=O)C

Isomeric SMILES

CC(C)NC1=C(N=CC=C1)N2CCN(CC2)C(=O)C3=CC4=C(N3)C=C(C=C4)OS(=O)(=O)C

InChI

InChI=1S/C22H27N5O4S/c1-15(2)24-18-5-4-8-23-21(18)26-9-11-27(12-10-26)22(28)20-13-16-6-7-17(14-19(16)25-20)31-32(3,29)30/h4-8,13-15,24-25H,9-12H2,1-3H3