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

Systemtic Name: ethyl 1-ethyl-4-[3-[(3-ethylphenyl)carbamoyl]piperidin-1-yl]sulfonyl-2,5-dimethyl-pyrrole-3-carboxylate Openeye Name: ethyl 1-ethyl-4-[[3-[(3-ethylphenyl)carbamoyl]-1-piperidyl]sulfonyl]-2,5-dimethyl-pyrrole-3-carboxylate CAS Name: 1-ethyl-4-[[3-[(3-ethylanilino)-oxomethyl]-1-piperidinyl]sulfonyl]-2,5-dimethyl-3-pyrrolecarboxylic acid ethyl ester IUPAC Name: ethyl 1-ethyl-4-[3-[(3-ethylphenyl)carbamoyl]piperidin-1-yl]sulfonyl-2,5-dimethylpyrrole-3-carboxylate Traditional Name: 1-ethyl-4-[3-[(3-ethylphenyl)carbamoyl]piperidino]sulfonyl-2,5-dimethyl-pyrrole-3-carboxylic acid ethyl ester Formula: C25H35N3O5S MolecularWeight: 489.6275

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=CC=C1)NC(=O)C2CCCN(C2)S(=O)(=O)C3=C(N(C(=C3C(=O)OCC)C)CC)C

Isomeric SMILES

CCC1=CC(=CC=C1)NC(=O)C2CCCN(C2)S(=O)(=O)C3=C(N(C(=C3C(=O)OCC)C)CC)C

InChI

InChI=1S/C25H35N3O5S/c1-6-19-11-9-13-21(15-19)26-24(29)20-12-10-14-27(16-20)34(31,32)23-18(5)28(7-2)17(4)22(23)25(30)33-8-3/h9,11,13,15,20H,6-8,10,12,14,16H2,1-5H3,(H,26,29)