[2-(4-butylphenyl)-2-oxidanylidene-ethyl] 4-morpholin-4-ylsulfonyl-1H-pyrrole-2-carboxylate

Systemtic Name: [2-(4-butylphenyl)-2-oxidanylidene-ethyl] 4-morpholin-4-ylsulfonyl-1H-pyrrole-2-carboxylate Openeye Name: [2-(4-butylphenyl)-2-oxo-ethyl] 4-morpholinosulfonyl-1H-pyrrole-2-carboxylate CAS Name: 4-(4-morpholinylsulfonyl)-1H-pyrrole-2-carboxylic acid [2-(4-butylphenyl)-2-oxoethyl] ester IUPAC Name: [2-(4-butylphenyl)-2-oxoethyl] 4-morpholin-4-ylsulfonyl-1H-pyrrole-2-carboxylate Traditional Name: 4-morpholinosulfonyl-1H-pyrrole-2-carboxylic acid [2-(4-butylphenyl)-2-keto-ethyl] ester Formula: C21H26N2O6S MolecularWeight: 434.50594

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)C(=O)COC(=O)C2=CC(=CN2)S(=O)(=O)N3CCOCC3

Isomeric SMILES

CCCCC1=CC=C(C=C1)C(=O)COC(=O)C2=CC(=CN2)S(=O)(=O)N3CCOCC3

InChI

InChI=1S/C21H26N2O6S/c1-2-3-4-16-5-7-17(8-6-16)20(24)15-29-21(25)19-13-18(14-22-19)30(26,27)23-9-11-28-12-10-23/h5-8,13-14,22H,2-4,9-12,15H2,1H3