[2-oxidanylidene-2-[(3-piperidin-1-ylsulfonylphenyl)amino]ethyl] 2,5-dimethyl-1-phenyl-pyrrole-3-carboxylate

Systemtic Name: [2-oxidanylidene-2-[(3-piperidin-1-ylsulfonylphenyl)amino]ethyl] 2,5-dimethyl-1-phenyl-pyrrole-3-carboxylate Openeye Name: [2-oxo-2-[3-(1-piperidylsulfonyl)anilino]ethyl] 2,5-dimethyl-1-phenyl-pyrrole-3-carboxylate CAS Name: 2,5-dimethyl-1-phenyl-3-pyrrolecarboxylic acid [2-oxo-2-[3-(1-piperidinylsulfonyl)anilino]ethyl] ester IUPAC Name: [2-oxo-2-(3-piperidin-1-ylsulfonylanilino)ethyl] 2,5-dimethyl-1-phenylpyrrole-3-carboxylate Traditional Name: 2,5-dimethyl-1-phenyl-pyrrole-3-carboxylic acid [2-keto-2-(3-piperidinosulfonylanilino)ethyl] ester Formula: C26H29N3O5S MolecularWeight: 495.59056

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C2=CC=CC=C2)C)C(=O)OCC(=O)NC3=CC(=CC=C3)S(=O)(=O)N4CCCCC4

Isomeric SMILES

CC1=CC(=C(N1C2=CC=CC=C2)C)C(=O)OCC(=O)NC3=CC(=CC=C3)S(=O)(=O)N4CCCCC4

InChI

InChI=1S/C26H29N3O5S/c1-19-16-24(20(2)29(19)22-11-5-3-6-12-22)26(31)34-18-25(30)27-21-10-9-13-23(17-21)35(32,33)28-14-7-4-8-15-28/h3,5-6,9-13,16-17H,4,7-8,14-15,18H2,1-2H3,(H,27,30)