ethyl 2,4-dimethyl-5-[(2S)-2-[(3-piperidin-1-ylsulfonylphenyl)amino]propanoyl]-1H-pyrrole-3-carboxylate

Systemtic Name: ethyl 2,4-dimethyl-5-[(2S)-2-[(3-piperidin-1-ylsulfonylphenyl)amino]propanoyl]-1H-pyrrole-3-carboxylate Openeye Name: ethyl 2,4-dimethyl-5-[(2S)-2-[3-(1-piperidylsulfonyl)anilino]propanoyl]-1H-pyrrole-3-carboxylate CAS Name: 2,4-dimethyl-5-[(2S)-1-oxo-2-[3-(1-piperidinylsulfonyl)anilino]propyl]-1H-pyrrole-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2,4-dimethyl-5-[(2S)-2-(3-piperidin-1-ylsulfonylanilino)propanoyl]-1H-pyrrole-3-carboxylate Traditional Name: 2,4-dimethyl-5-[(2S)-2-(3-piperidinosulfonylanilino)propanoyl]-1H-pyrrole-3-carboxylic acid ethyl ester Formula: C23H31N3O5S MolecularWeight: 461.57434

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=C1C)C(=O)C(C)NC2=CC(=CC=C2)S(=O)(=O)N3CCCCC3)C

Isomeric SMILES

CCOC(=O)C1=C(NC(=C1C)C(=O)[C@H](C)NC2=CC(=CC=C2)S(=O)(=O)N3CCCCC3)C

InChI

InChI=1S/C23H31N3O5S/c1-5-31-23(28)20-15(2)21(25-16(20)3)22(27)17(4)24-18-10-9-11-19(14-18)32(29,30)26-12-7-6-8-13-26/h9-11,14,17,24-25H,5-8,12-13H2,1-4H3/t17-/m0/s1