methyl 4-[[4-[(3-methoxyphenyl)sulfonyl-(pyridin-3-ylmethyl)amino]piperidin-1-yl]methyl]benzoate

Systemtic Name: methyl 4-[[4-[(3-methoxyphenyl)sulfonyl-(pyridin-3-ylmethyl)amino]piperidin-1-yl]methyl]benzoate Openeye Name: methyl 4-[[4-[(3-methoxyphenyl)sulfonyl-(3-pyridylmethyl)amino]-1-piperidyl]methyl]benzoate CAS Name: 4-[[4-[(3-methoxyphenyl)sulfonyl-(3-pyridinylmethyl)amino]-1-piperidinyl]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[4-[(3-methoxyphenyl)sulfonyl-(pyridin-3-ylmethyl)amino]piperidin-1-yl]methyl]benzoate Traditional Name: 4-[[4-[(3-methoxyphenyl)sulfonyl-(3-pyridylmethyl)amino]piperidino]methyl]benzoic acid methyl ester Formula: C27H31N3O5S MolecularWeight: 509.61714

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC=C1)S(=O)(=O)N(CC2=CN=CC=C2)C3CCN(CC3)CC4=CC=C(C=C4)C(=O)OC

Isomeric SMILES

COC1=CC(=CC=C1)S(=O)(=O)N(CC2=CN=CC=C2)C3CCN(CC3)CC4=CC=C(C=C4)C(=O)OC

InChI

InChI=1S/C27H31N3O5S/c1-34-25-6-3-7-26(17-25)36(32,33)30(20-22-5-4-14-28-18-22)24-12-15-29(16-13-24)19-21-8-10-23(11-9-21)27(31)35-2/h3-11,14,17-18,24H,12-13,15-16,19-20H2,1-2H3