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

Systemtic Name: ethyl 4-[3-(cyclooctylcarbamoyl)piperidin-1-yl]sulfonyl-2,5-dimethyl-1H-pyrrole-3-carboxylate Openeye Name: ethyl 4-[[3-(cyclooctylcarbamoyl)-1-piperidyl]sulfonyl]-2,5-dimethyl-1H-pyrrole-3-carboxylate CAS Name: 4-[[3-[(cyclooctylamino)-oxomethyl]-1-piperidinyl]sulfonyl]-2,5-dimethyl-1H-pyrrole-3-carboxylic acid ethyl ester IUPAC Name: ethyl 4-[3-(cyclooctylcarbamoyl)piperidin-1-yl]sulfonyl-2,5-dimethyl-1H-pyrrole-3-carboxylate Traditional Name: 4-[3-(cyclooctylcarbamoyl)piperidino]sulfonyl-2,5-dimethyl-1H-pyrrole-3-carboxylic acid ethyl ester Formula: C23H37N3O5S MolecularWeight: 467.62198

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=C1S(=O)(=O)N2CCCC(C2)C(=O)NC3CCCCCCC3)C)C

Isomeric SMILES

CCOC(=O)C1=C(NC(=C1S(=O)(=O)N2CCCC(C2)C(=O)NC3CCCCCCC3)C)C

InChI

InChI=1S/C23H37N3O5S/c1-4-31-23(28)20-16(2)24-17(3)21(20)32(29,30)26-14-10-11-18(15-26)22(27)25-19-12-8-6-5-7-9-13-19/h18-19,24H,4-15H2,1-3H3,(H,25,27)