[2-[4-[3-(propan-2-ylamino)pyridin-2-yl]piperazin-1-yl]carbonyl-1H-indol-5-yl] methanesulfonate

Systemtic Name: [2-[4-[3-(propan-2-ylamino)pyridin-2-yl]piperazin-1-yl]carbonyl-1H-indol-5-yl] methanesulfonate Openeye Name: [2-[4-[3-(isopropylamino)-2-pyridyl]piperazine-1-carbonyl]-1H-indol-5-yl] methanesulfonate CAS Name: methanesulfonic acid [2-[oxo-[4-[3-(propan-2-ylamino)-2-pyridinyl]-1-piperazinyl]methyl]-1H-indol-5-yl] ester IUPAC Name: [2-[4-[3-(propan-2-ylamino)pyridin-2-yl]piperazine-1-carbonyl]-1H-indol-5-yl] methanesulfonate Traditional Name: methanesulfonic acid [2-[4-[3-(isopropylamino)-2-pyridyl]piperazine-1-carbonyl]-1H-indol-5-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=CC(=C4)OS(=O)(=O)C

Isomeric SMILES

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

InChI

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