ethyl 4-(2-azanyl-5-chloranyl-phenyl)sulfonyl-1-(3-methylbut-2-enyl)pyrrole-3-carboxylate

Systemtic Name: ethyl 4-(2-azanyl-5-chloranyl-phenyl)sulfonyl-1-(3-methylbut-2-enyl)pyrrole-3-carboxylate Openeye Name: ethyl 4-(2-amino-5-chloro-phenyl)sulfonyl-1-(3-methylbut-2-enyl)pyrrole-3-carboxylate CAS Name: 4-(2-amino-5-chlorophenyl)sulfonyl-1-(3-methylbut-2-enyl)-3-pyrrolecarboxylic acid ethyl ester IUPAC Name: ethyl 4-(2-amino-5-chlorophenyl)sulfonyl-1-(3-methylbut-2-enyl)pyrrole-3-carboxylate Traditional Name: 4-(2-amino-5-chloro-phenyl)sulfonyl-1-(3-methylbut-2-enyl)pyrrole-3-carboxylic acid ethyl ester Formula: C18H21ClN2O4S MolecularWeight: 396.88834

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN(C=C1S(=O)(=O)C2=C(C=CC(=C2)Cl)N)CC=C(C)C

Isomeric SMILES

CCOC(=O)C1=CN(C=C1S(=O)(=O)C2=C(C=CC(=C2)Cl)N)CC=C(C)C

InChI

InChI=1S/C18H21ClN2O4S/c1-4-25-18(22)14-10-21(8-7-12(2)3)11-17(14)26(23,24)16-9-13(19)5-6-15(16)20/h5-7,9-11H,4,8,20H2,1-3H3