methyl 2-[4-[1-[(2-azanylpyridin-4-yl)methyl]piperidin-4-yl]carbonylpiperazin-1-yl]sulfonylbenzoate

Systemtic Name: methyl 2-[4-[1-[(2-azanylpyridin-4-yl)methyl]piperidin-4-yl]carbonylpiperazin-1-yl]sulfonylbenzoate Openeye Name: methyl 2-[4-[1-[(2-amino-4-pyridyl)methyl]piperidine-4-carbonyl]piperazin-1-yl]sulfonylbenzoate CAS Name: 2-[[4-[[1-[(2-amino-4-pyridinyl)methyl]-4-piperidinyl]-oxomethyl]-1-piperazinyl]sulfonyl]benzoic acid methyl ester IUPAC Name: methyl 2-[4-[1-[(2-aminopyridin-4-yl)methyl]piperidine-4-carbonyl]piperazin-1-yl]sulfonylbenzoate Traditional Name: 2-[4-[1-[(2-amino-4-pyridyl)methyl]isonipecotoyl]piperazino]sulfonylbenzoic acid methyl ester Formula: C24H31N5O5S MolecularWeight: 501.59844

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=CC=C1S(=O)(=O)N2CCN(CC2)C(=O)C3CCN(CC3)CC4=CC(=NC=C4)N

Isomeric SMILES

COC(=O)C1=CC=CC=C1S(=O)(=O)N2CCN(CC2)C(=O)C3CCN(CC3)CC4=CC(=NC=C4)N

InChI

InChI=1S/C24H31N5O5S/c1-34-24(31)20-4-2-3-5-21(20)35(32,33)29-14-12-28(13-15-29)23(30)19-7-10-27(11-8-19)17-18-6-9-26-22(25)16-18/h2-6,9,16,19H,7-8,10-15,17H2,1H3,(H2,25,26)