methyl 4-[[4-[pyridin-3-ylmethyl(quinolin-8-ylsulfonyl)amino]piperidin-1-yl]methyl]benzoate

Systemtic Name: methyl 4-[[4-[pyridin-3-ylmethyl(quinolin-8-ylsulfonyl)amino]piperidin-1-yl]methyl]benzoate Openeye Name: methyl 4-[[4-[3-pyridylmethyl(8-quinolylsulfonyl)amino]-1-piperidyl]methyl]benzoate CAS Name: 4-[[4-[3-pyridinylmethyl(8-quinolinylsulfonyl)amino]-1-piperidinyl]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[4-[pyridin-3-ylmethyl(quinolin-8-ylsulfonyl)amino]piperidin-1-yl]methyl]benzoate Traditional Name: 4-[[4-[3-pyridylmethyl(8-quinolylsulfonyl)amino]piperidino]methyl]benzoic acid methyl ester Formula: C29H30N4O4S MolecularWeight: 530.6379

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)CN2CCC(CC2)N(CC3=CN=CC=C3)S(=O)(=O)C4=CC=CC5=C4N=CC=C5

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)CN2CCC(CC2)N(CC3=CN=CC=C3)S(=O)(=O)C4=CC=CC5=C4N=CC=C5

InChI

InChI=1S/C29H30N4O4S/c1-37-29(34)25-11-9-22(10-12-25)20-32-17-13-26(14-18-32)33(21-23-5-3-15-30-19-23)38(35,36)27-8-2-6-24-7-4-16-31-28(24)27/h2-12,15-16,19,26H,13-14,17-18,20-21H2,1H3