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

Systemtic Name: methyl 4-[[4-[(3-methylsulfonylphenyl)sulfonyl-(pyridin-3-ylmethyl)amino]piperidin-1-yl]methyl]benzoate Openeye Name: methyl 4-[[4-[(3-methylsulfonylphenyl)sulfonyl-(3-pyridylmethyl)amino]-1-piperidyl]methyl]benzoate CAS Name: 4-[[4-[(3-methylsulfonylphenyl)sulfonyl-(3-pyridinylmethyl)amino]-1-piperidinyl]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[4-[(3-methylsulfonylphenyl)sulfonyl-(pyridin-3-ylmethyl)amino]piperidin-1-yl]methyl]benzoate Traditional Name: 4-[[4-[(3-mesylphenyl)sulfonyl-(3-pyridylmethyl)amino]piperidino]methyl]benzoic acid methyl ester Formula: C27H31N3O6S2 MolecularWeight: 557.68154

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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=CC(=C4)S(=O)(=O)C

Isomeric SMILES

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

InChI

InChI=1S/C27H31N3O6S2/c1-36-27(31)23-10-8-21(9-11-23)19-29-15-12-24(13-16-29)30(20-22-5-4-14-28-18-22)38(34,35)26-7-3-6-25(17-26)37(2,32)33/h3-11,14,17-18,24H,12-13,15-16,19-20H2,1-2H3