ethyl 4-[4-[furan-2-ylmethyl(methyl)carbamoyl]piperidin-1-yl]sulfonyl-2,5-dimethyl-1H-pyrrole-3-carboxylate

Systemtic Name: ethyl 4-[4-[furan-2-ylmethyl(methyl)carbamoyl]piperidin-1-yl]sulfonyl-2,5-dimethyl-1H-pyrrole-3-carboxylate Openeye Name: ethyl 4-[[4-[2-furylmethyl(methyl)carbamoyl]-1-piperidyl]sulfonyl]-2,5-dimethyl-1H-pyrrole-3-carboxylate CAS Name: 4-[[4-[[2-furanylmethyl(methyl)amino]-oxomethyl]-1-piperidinyl]sulfonyl]-2,5-dimethyl-1H-pyrrole-3-carboxylic acid ethyl ester IUPAC Name: ethyl 4-[4-[furan-2-ylmethyl(methyl)carbamoyl]piperidin-1-yl]sulfonyl-2,5-dimethyl-1H-pyrrole-3-carboxylate Traditional Name: 4-[4-[2-furfuryl(methyl)carbamoyl]piperidino]sulfonyl-2,5-dimethyl-1H-pyrrole-3-carboxylic acid ethyl ester Formula: C21H29N3O6S MolecularWeight: 451.53646

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=C1S(=O)(=O)N2CCC(CC2)C(=O)N(C)CC3=CC=CO3)C)C

Isomeric SMILES

CCOC(=O)C1=C(NC(=C1S(=O)(=O)N2CCC(CC2)C(=O)N(C)CC3=CC=CO3)C)C

InChI

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