methyl 2-ethyl-4-methyl-5-[(4-piperidin-1-ylsulfonylphenyl)methylcarbamoyl]-1H-pyrrole-3-carboxylate

Systemtic Name: methyl 2-ethyl-4-methyl-5-[(4-piperidin-1-ylsulfonylphenyl)methylcarbamoyl]-1H-pyrrole-3-carboxylate Openeye Name: methyl 2-ethyl-4-methyl-5-[[4-(1-piperidylsulfonyl)phenyl]methylcarbamoyl]-1H-pyrrole-3-carboxylate CAS Name: 2-ethyl-4-methyl-5-[oxo-[[4-(1-piperidinylsulfonyl)phenyl]methylamino]methyl]-1H-pyrrole-3-carboxylic acid methyl ester IUPAC Name: methyl 2-ethyl-4-methyl-5-[(4-piperidin-1-ylsulfonylphenyl)methylcarbamoyl]-1H-pyrrole-3-carboxylate Traditional Name: 2-ethyl-4-methyl-5-[(4-piperidinosulfonylbenzyl)carbamoyl]-1H-pyrrole-3-carboxylic acid methyl ester Formula: C22H29N3O5S MolecularWeight: 447.54776

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=C(N1)C(=O)NCC2=CC=C(C=C2)S(=O)(=O)N3CCCCC3)C)C(=O)OC

Isomeric SMILES

CCC1=C(C(=C(N1)C(=O)NCC2=CC=C(C=C2)S(=O)(=O)N3CCCCC3)C)C(=O)OC

InChI

InChI=1S/C22H29N3O5S/c1-4-18-19(22(27)30-3)15(2)20(24-18)21(26)23-14-16-8-10-17(11-9-16)31(28,29)25-12-6-5-7-13-25/h8-11,24H,4-7,12-14H2,1-3H3,(H,23,26)