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

Systemtic Name: methyl 4-[[4-[furan-2-ylmethyl-(4-methylsulfonylphenyl)carbonyl-amino]piperidin-1-yl]methyl]benzoate Openeye Name: methyl 4-[[4-[2-furylmethyl-(4-methylsulfonylbenzoyl)amino]-1-piperidyl]methyl]benzoate CAS Name: 4-[[4-[2-furanylmethyl-[(4-methylsulfonylphenyl)-oxomethyl]amino]-1-piperidinyl]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[4-[furan-2-ylmethyl-(4-methylsulfonylbenzoyl)amino]piperidin-1-yl]methyl]benzoate Traditional Name: 4-[[4-[2-furfuryl-(4-mesylbenzoyl)amino]piperidino]methyl]benzoic acid methyl ester Formula: C27H30N2O6S MolecularWeight: 510.6019

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)CN2CCC(CC2)N(CC3=CC=CO3)C(=O)C4=CC=C(C=C4)S(=O)(=O)C

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)CN2CCC(CC2)N(CC3=CC=CO3)C(=O)C4=CC=C(C=C4)S(=O)(=O)C

InChI

InChI=1S/C27H30N2O6S/c1-34-27(31)22-7-5-20(6-8-22)18-28-15-13-23(14-16-28)29(19-24-4-3-17-35-24)26(30)21-9-11-25(12-10-21)36(2,32)33/h3-12,17,23H,13-16,18-19H2,1-2H3