ethyl 4-[2-[(4-chloranyl-3-nitro-phenyl)sulfonyl-cyclopropyl-amino]ethanoyl]-1,3,5-trimethyl-pyrrole-2-carboxylate

Systemtic Name: ethyl 4-[2-[(4-chloranyl-3-nitro-phenyl)sulfonyl-cyclopropyl-amino]ethanoyl]-1,3,5-trimethyl-pyrrole-2-carboxylate Openeye Name: ethyl 4-[2-[(4-chloro-3-nitro-phenyl)sulfonyl-cyclopropyl-amino]acetyl]-1,3,5-trimethyl-pyrrole-2-carboxylate CAS Name: 4-[2-[(4-chloro-3-nitrophenyl)sulfonyl-cyclopropylamino]-1-oxoethyl]-1,3,5-trimethyl-2-pyrrolecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[2-[(4-chloro-3-nitrophenyl)sulfonyl-cyclopropylamino]acetyl]-1,3,5-trimethylpyrrole-2-carboxylate Traditional Name: 4-[2-[(4-chloro-3-nitro-phenyl)sulfonyl-cyclopropyl-amino]acetyl]-1,3,5-trimethyl-pyrrole-2-carboxylic acid ethyl ester Formula: C21H24ClN3O7S MolecularWeight: 497.94916

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=C(N1C)C)C(=O)CN(C2CC2)S(=O)(=O)C3=CC(=C(C=C3)Cl)[N+](=O)[O-])C

Isomeric SMILES

CCOC(=O)C1=C(C(=C(N1C)C)C(=O)CN(C2CC2)S(=O)(=O)C3=CC(=C(C=C3)Cl)[N+](=O)[O-])C

InChI

InChI=1S/C21H24ClN3O7S/c1-5-32-21(27)20-12(2)19(13(3)23(20)4)18(26)11-24(14-6-7-14)33(30,31)15-8-9-16(22)17(10-15)25(28)29/h8-10,14H,5-7,11H2,1-4H3