methyl 4-[4-[2-(furan-2-ylcarbonylamino)ethyl]piperazin-1-yl]sulfonylbenzoate

Systemtic Name: methyl 4-[4-[2-(furan-2-ylcarbonylamino)ethyl]piperazin-1-yl]sulfonylbenzoate Openeye Name: methyl 4-[4-[2-(furan-2-carbonylamino)ethyl]piperazin-1-yl]sulfonylbenzoate CAS Name: 4-[[4-[2-[[2-furanyl(oxo)methyl]amino]ethyl]-1-piperazinyl]sulfonyl]benzoic acid methyl ester IUPAC Name: methyl 4-[4-[2-(furan-2-carbonylamino)ethyl]piperazin-1-yl]sulfonylbenzoate Traditional Name: 4-[4-[2-(2-furoylamino)ethyl]piperazino]sulfonylbenzoic acid methyl ester Formula: C19H23N3O6S MolecularWeight: 421.46742

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)CCNC(=O)C3=CC=CO3

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)CCNC(=O)C3=CC=CO3

InChI

InChI=1S/C19H23N3O6S/c1-27-19(24)15-4-6-16(7-5-15)29(25,26)22-12-10-21(11-13-22)9-8-20-18(23)17-3-2-14-28-17/h2-7,14H,8-13H2,1H3,(H,20,23)