[2-[methyl-[(5-methylfuran-2-yl)methyl]amino]-2-oxidanylidene-ethyl] 4-pyrrolidin-1-ylsulfonylbenzoate

Systemtic Name: [2-[methyl-[(5-methylfuran-2-yl)methyl]amino]-2-oxidanylidene-ethyl] 4-pyrrolidin-1-ylsulfonylbenzoate Openeye Name: [2-[methyl-[(5-methyl-2-furyl)methyl]amino]-2-oxo-ethyl] 4-pyrrolidin-1-ylsulfonylbenzoate CAS Name: 4-(1-pyrrolidinylsulfonyl)benzoic acid [2-[methyl-[(5-methyl-2-furanyl)methyl]amino]-2-oxoethyl] ester IUPAC Name: [2-[methyl-[(5-methylfuran-2-yl)methyl]amino]-2-oxoethyl] 4-pyrrolidin-1-ylsulfonylbenzoate Traditional Name: 4-pyrrolidinosulfonylbenzoic acid [2-keto-2-[methyl-[(5-methyl-2-furyl)methyl]amino]ethyl] ester Formula: C20H24N2O6S MolecularWeight: 420.47936

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(O1)CN(C)C(=O)COC(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCCC3

Isomeric SMILES

CC1=CC=C(O1)CN(C)C(=O)COC(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCCC3

InChI

InChI=1S/C20H24N2O6S/c1-15-5-8-17(28-15)13-21(2)19(23)14-27-20(24)16-6-9-18(10-7-16)29(25,26)22-11-3-4-12-22/h5-10H,3-4,11-14H2,1-2H3