ethyl 1-[5-chloranyl-2-(3-methylbutanoylamino)phenyl]sulfonylpyrrole-2-carboxylate

Systemtic Name: ethyl 1-[5-chloranyl-2-(3-methylbutanoylamino)phenyl]sulfonylpyrrole-2-carboxylate Openeye Name: ethyl 1-[5-chloro-2-(3-methylbutanoylamino)phenyl]sulfonylpyrrole-2-carboxylate CAS Name: 1-[5-chloro-2-[(3-methyl-1-oxobutyl)amino]phenyl]sulfonyl-2-pyrrolecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[5-chloro-2-(3-methylbutanoylamino)phenyl]sulfonylpyrrole-2-carboxylate Traditional Name: 1-[5-chloro-2-(isovalerylamino)phenyl]sulfonylpyrrole-2-carboxylic acid ethyl ester Formula: C18H21ClN2O5S MolecularWeight: 412.88774

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=CN1S(=O)(=O)C2=C(C=CC(=C2)Cl)NC(=O)CC(C)C

Isomeric SMILES

CCOC(=O)C1=CC=CN1S(=O)(=O)C2=C(C=CC(=C2)Cl)NC(=O)CC(C)C

InChI

InChI=1S/C18H21ClN2O5S/c1-4-26-18(23)15-6-5-9-21(15)27(24,25)16-11-13(19)7-8-14(16)20-17(22)10-12(2)3/h5-9,11-12H,4,10H2,1-3H3,(H,20,22)