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

Systemtic Name: ethyl 2,5-dimethyl-4-[3-[(2-methylquinolin-4-yl)carbamoyl]piperidin-1-yl]sulfonyl-1H-pyrrole-3-carboxylate Openeye Name: ethyl 2,5-dimethyl-4-[[3-[(2-methyl-4-quinolyl)carbamoyl]-1-piperidyl]sulfonyl]-1H-pyrrole-3-carboxylate CAS Name: 2,5-dimethyl-4-[[3-[[(2-methyl-4-quinolinyl)amino]-oxomethyl]-1-piperidinyl]sulfonyl]-1H-pyrrole-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2,5-dimethyl-4-[3-[(2-methylquinolin-4-yl)carbamoyl]piperidin-1-yl]sulfonyl-1H-pyrrole-3-carboxylate Traditional Name: 2,5-dimethyl-4-[3-[(2-methyl-4-quinolyl)carbamoyl]piperidino]sulfonyl-1H-pyrrole-3-carboxylic acid ethyl ester Formula: C25H30N4O5S MolecularWeight: 498.5945

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=C1S(=O)(=O)N2CCCC(C2)C(=O)NC3=CC(=NC4=CC=CC=C43)C)C)C

Isomeric SMILES

CCOC(=O)C1=C(NC(=C1S(=O)(=O)N2CCCC(C2)C(=O)NC3=CC(=NC4=CC=CC=C43)C)C)C

InChI

InChI=1S/C25H30N4O5S/c1-5-34-25(31)22-16(3)27-17(4)23(22)35(32,33)29-12-8-9-18(14-29)24(30)28-21-13-15(2)26-20-11-7-6-10-19(20)21/h6-7,10-11,13,18,27H,5,8-9,12,14H2,1-4H3,(H,26,28,30)