methyl 4-[[4-[furan-2-ylmethyl-(3-methylsulfonylphenyl)sulfonyl-amino]piperidin-1-yl]methyl]benzoate

Systemtic Name: methyl 4-[[4-[furan-2-ylmethyl-(3-methylsulfonylphenyl)sulfonyl-amino]piperidin-1-yl]methyl]benzoate Openeye Name: methyl 4-[[4-[2-furylmethyl-(3-methylsulfonylphenyl)sulfonyl-amino]-1-piperidyl]methyl]benzoate CAS Name: 4-[[4-[2-furanylmethyl-(3-methylsulfonylphenyl)sulfonylamino]-1-piperidinyl]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[4-[furan-2-ylmethyl-(3-methylsulfonylphenyl)sulfonylamino]piperidin-1-yl]methyl]benzoate Traditional Name: 4-[[4-[2-furfuryl-(3-mesylphenyl)sulfonyl-amino]piperidino]methyl]benzoic acid methyl ester Formula: C26H30N2O7S2 MolecularWeight: 546.6556

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H30N2O7S2/c1-34-26(29)21-10-8-20(9-11-21)18-27-14-12-22(13-15-27)28(19-23-5-4-16-35-23)37(32,33)25-7-3-6-24(17-25)36(2,30)31/h3-11,16-17,22H,12-15,18-19H2,1-2H3