ethyl 1,2,5-trimethyl-4-[3-[(5-methylfuran-2-yl)methylcarbamoyl]piperidin-1-yl]sulfonyl-pyrrole-3-carboxylate

Systemtic Name: ethyl 1,2,5-trimethyl-4-[3-[(5-methylfuran-2-yl)methylcarbamoyl]piperidin-1-yl]sulfonyl-pyrrole-3-carboxylate Openeye Name: ethyl 1,2,5-trimethyl-4-[[3-[(5-methyl-2-furyl)methylcarbamoyl]-1-piperidyl]sulfonyl]pyrrole-3-carboxylate CAS Name: 1,2,5-trimethyl-4-[[3-[[(5-methyl-2-furanyl)methylamino]-oxomethyl]-1-piperidinyl]sulfonyl]-3-pyrrolecarboxylic acid ethyl ester IUPAC Name: ethyl 1,2,5-trimethyl-4-[3-[(5-methylfuran-2-yl)methylcarbamoyl]piperidin-1-yl]sulfonylpyrrole-3-carboxylate Traditional Name: 1,2,5-trimethyl-4-[3-[(5-methyl-2-furyl)methylcarbamoyl]piperidino]sulfonyl-pyrrole-3-carboxylic acid ethyl ester Formula: C22H31N3O6S MolecularWeight: 465.56304

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(C(=C1S(=O)(=O)N2CCCC(C2)C(=O)NCC3=CC=C(O3)C)C)C)C

Isomeric SMILES

CCOC(=O)C1=C(N(C(=C1S(=O)(=O)N2CCCC(C2)C(=O)NCC3=CC=C(O3)C)C)C)C

InChI

InChI=1S/C22H31N3O6S/c1-6-30-22(27)19-15(3)24(5)16(4)20(19)32(28,29)25-11-7-8-17(13-25)21(26)23-12-18-10-9-14(2)31-18/h9-10,17H,6-8,11-13H2,1-5H3,(H,23,26)