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

Systemtic Name: ethyl 4-[3-[(3-cyanophenyl)carbamoyl]piperidin-1-yl]sulfonyl-2,5-dimethyl-1H-pyrrole-3-carboxylate Openeye Name: ethyl 4-[[3-[(3-cyanophenyl)carbamoyl]-1-piperidyl]sulfonyl]-2,5-dimethyl-1H-pyrrole-3-carboxylate CAS Name: 4-[[3-[(3-cyanoanilino)-oxomethyl]-1-piperidinyl]sulfonyl]-2,5-dimethyl-1H-pyrrole-3-carboxylic acid ethyl ester IUPAC Name: ethyl 4-[3-[(3-cyanophenyl)carbamoyl]piperidin-1-yl]sulfonyl-2,5-dimethyl-1H-pyrrole-3-carboxylate Traditional Name: 4-[3-[(3-cyanophenyl)carbamoyl]piperidino]sulfonyl-2,5-dimethyl-1H-pyrrole-3-carboxylic acid ethyl ester Formula: C22H26N4O5S MolecularWeight: 458.53064

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=CC(=C3)C#N)C)C

Isomeric SMILES

CCOC(=O)C1=C(NC(=C1S(=O)(=O)N2CCCC(C2)C(=O)NC3=CC=CC(=C3)C#N)C)C

InChI

InChI=1S/C22H26N4O5S/c1-4-31-22(28)19-14(2)24-15(3)20(19)32(29,30)26-10-6-8-17(13-26)21(27)25-18-9-5-7-16(11-18)12-23/h5,7,9,11,17,24H,4,6,8,10,13H2,1-3H3,(H,25,27)