[2-[2-azanyl-5-(1-piperidin-4-ylpyrazol-4-yl)pyridin-3-yl]-1,3-benzoxazol-6-yl] methanesulfonate

Systemtic Name: [2-[2-azanyl-5-(1-piperidin-4-ylpyrazol-4-yl)pyridin-3-yl]-1,3-benzoxazol-6-yl] methanesulfonate Openeye Name: [2-[2-amino-5-[1-(4-piperidyl)pyrazol-4-yl]-3-pyridyl]-1,3-benzoxazol-6-yl] methanesulfonate CAS Name: methanesulfonic acid [2-[2-amino-5-[1-(4-piperidinyl)-4-pyrazolyl]-3-pyridinyl]-1,3-benzoxazol-6-yl] ester IUPAC Name: [2-[2-amino-5-(1-piperidin-4-ylpyrazol-4-yl)pyridin-3-yl]-1,3-benzoxazol-6-yl] methanesulfonate Traditional Name: methanesulfonic acid [2-[2-amino-5-[1-(4-piperidyl)pyrazol-4-yl]-3-pyridyl]-1,3-benzoxazol-6-yl] ester Formula: C21H22N6O4S MolecularWeight: 454.50218

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)OC1=CC2=C(C=C1)N=C(O2)C3=C(N=CC(=C3)C4=CN(N=C4)C5CCNCC5)N

Isomeric SMILES

CS(=O)(=O)OC1=CC2=C(C=C1)N=C(O2)C3=C(N=CC(=C3)C4=CN(N=C4)C5CCNCC5)N

InChI

InChI=1S/C21H22N6O4S/c1-32(28,29)31-16-2-3-18-19(9-16)30-21(26-18)17-8-13(10-24-20(17)22)14-11-25-27(12-14)15-4-6-23-7-5-15/h2-3,8-12,15,23H,4-7H2,1H3,(H2,22,24)