methyl 4-[[4-[2-methoxyethyl-(4-methylsulfonylphenyl)carbonyl-amino]piperidin-1-yl]methyl]benzoate

Systemtic Name: methyl 4-[[4-[2-methoxyethyl-(4-methylsulfonylphenyl)carbonyl-amino]piperidin-1-yl]methyl]benzoate Openeye Name: methyl 4-[[4-[2-methoxyethyl-(4-methylsulfonylbenzoyl)amino]-1-piperidyl]methyl]benzoate CAS Name: 4-[[4-[2-methoxyethyl-[(4-methylsulfonylphenyl)-oxomethyl]amino]-1-piperidinyl]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[4-[2-methoxyethyl-(4-methylsulfonylbenzoyl)amino]piperidin-1-yl]methyl]benzoate Traditional Name: 4-[[4-[(4-mesylbenzoyl)-(2-methoxyethyl)amino]piperidino]methyl]benzoic acid methyl ester Formula: C25H32N2O6S MolecularWeight: 488.59638

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Descriptors Computed from Structure

Canonical SMILES:

COCCN(C1CCN(CC1)CC2=CC=C(C=C2)C(=O)OC)C(=O)C3=CC=C(C=C3)S(=O)(=O)C

Isomeric SMILES

COCCN(C1CCN(CC1)CC2=CC=C(C=C2)C(=O)OC)C(=O)C3=CC=C(C=C3)S(=O)(=O)C

InChI

InChI=1S/C25H32N2O6S/c1-32-17-16-27(24(28)20-8-10-23(11-9-20)34(3,30)31)22-12-14-26(15-13-22)18-19-4-6-21(7-5-19)25(29)33-2/h4-11,22H,12-18H2,1-3H3