ethyl 4-[4-[furan-2-ylmethyl(methyl)carbamoyl]piperidin-1-yl]sulfonylbenzoate

Systemtic Name: ethyl 4-[4-[furan-2-ylmethyl(methyl)carbamoyl]piperidin-1-yl]sulfonylbenzoate Openeye Name: ethyl 4-[[4-[2-furylmethyl(methyl)carbamoyl]-1-piperidyl]sulfonyl]benzoate CAS Name: 4-[[4-[[2-furanylmethyl(methyl)amino]-oxomethyl]-1-piperidinyl]sulfonyl]benzoic acid ethyl ester IUPAC Name: ethyl 4-[4-[furan-2-ylmethyl(methyl)carbamoyl]piperidin-1-yl]sulfonylbenzoate Traditional Name: 4-[4-[2-furfuryl(methyl)carbamoyl]piperidino]sulfonylbenzoic acid ethyl ester Formula: C21H26N2O6S MolecularWeight: 434.50594

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)N(C)CC3=CC=CO3

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)N(C)CC3=CC=CO3

InChI

InChI=1S/C21H26N2O6S/c1-3-28-21(25)17-6-8-19(9-7-17)30(26,27)23-12-10-16(11-13-23)20(24)22(2)15-18-5-4-14-29-18/h4-9,14,16H,3,10-13,15H2,1-2H3