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

Systemtic Name: methyl 4-[[4-[(4-methylsulfonylphenyl)carbonyl-(pyridin-3-ylmethyl)amino]piperidin-1-yl]methyl]benzoate Openeye Name: methyl 4-[[4-[(4-methylsulfonylbenzoyl)-(3-pyridylmethyl)amino]-1-piperidyl]methyl]benzoate CAS Name: 4-[[4-[[(4-methylsulfonylphenyl)-oxomethyl]-(3-pyridinylmethyl)amino]-1-piperidinyl]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[4-[(4-methylsulfonylbenzoyl)-(pyridin-3-ylmethyl)amino]piperidin-1-yl]methyl]benzoate Traditional Name: 4-[[4-[(4-mesylbenzoyl)-(3-pyridylmethyl)amino]piperidino]methyl]benzoic acid methyl ester Formula: C28H31N3O5S MolecularWeight: 521.62784

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H31N3O5S/c1-36-28(33)24-7-5-21(6-8-24)19-30-16-13-25(14-17-30)31(20-22-4-3-15-29-18-22)27(32)23-9-11-26(12-10-23)37(2,34)35/h3-12,15,18,25H,13-14,16-17,19-20H2,1-2H3