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

Systemtic Name: ethyl 2,5-dimethyl-4-[4-[(5-methylfuran-2-yl)methylcarbamoyl]piperidin-1-yl]sulfonyl-1H-pyrrole-3-carboxylate Openeye Name: ethyl 2,5-dimethyl-4-[[4-[(5-methyl-2-furyl)methylcarbamoyl]-1-piperidyl]sulfonyl]-1H-pyrrole-3-carboxylate CAS Name: 2,5-dimethyl-4-[[4-[[(5-methyl-2-furanyl)methylamino]-oxomethyl]-1-piperidinyl]sulfonyl]-1H-pyrrole-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2,5-dimethyl-4-[4-[(5-methylfuran-2-yl)methylcarbamoyl]piperidin-1-yl]sulfonyl-1H-pyrrole-3-carboxylate Traditional Name: 2,5-dimethyl-4-[4-[(5-methyl-2-furyl)methylcarbamoyl]piperidino]sulfonyl-1H-pyrrole-3-carboxylic acid ethyl ester Formula: C21H29N3O6S MolecularWeight: 451.53646

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=C1S(=O)(=O)N2CCC(CC2)C(=O)NCC3=CC=C(O3)C)C)C

Isomeric SMILES

CCOC(=O)C1=C(NC(=C1S(=O)(=O)N2CCC(CC2)C(=O)NCC3=CC=C(O3)C)C)C

InChI

InChI=1S/C21H29N3O6S/c1-5-29-21(26)18-14(3)23-15(4)19(18)31(27,28)24-10-8-16(9-11-24)20(25)22-12-17-7-6-13(2)30-17/h6-7,16,23H,5,8-12H2,1-4H3,(H,22,25)