ethyl 4-[[2-[(3-bromophenyl)methylamino]-2-oxidanylidene-ethyl]sulfamoyl]-2,5-dimethyl-1H-pyrrole-3-carboxylate

Systemtic Name: ethyl 4-[[2-[(3-bromophenyl)methylamino]-2-oxidanylidene-ethyl]sulfamoyl]-2,5-dimethyl-1H-pyrrole-3-carboxylate Openeye Name: ethyl 4-[[2-[(3-bromophenyl)methylamino]-2-oxo-ethyl]sulfamoyl]-2,5-dimethyl-1H-pyrrole-3-carboxylate CAS Name: 4-[[2-[(3-bromophenyl)methylamino]-2-oxoethyl]sulfamoyl]-2,5-dimethyl-1H-pyrrole-3-carboxylic acid ethyl ester IUPAC Name: ethyl 4-[[2-[(3-bromophenyl)methylamino]-2-oxoethyl]sulfamoyl]-2,5-dimethyl-1H-pyrrole-3-carboxylate Traditional Name: 4-[[2-[(3-bromobenzyl)amino]-2-keto-ethyl]sulfamoyl]-2,5-dimethyl-1H-pyrrole-3-carboxylic acid ethyl ester Formula: C18H22BrN3O5S MolecularWeight: 472.35338

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=C1S(=O)(=O)NCC(=O)NCC2=CC(=CC=C2)Br)C)C

Isomeric SMILES

CCOC(=O)C1=C(NC(=C1S(=O)(=O)NCC(=O)NCC2=CC(=CC=C2)Br)C)C

InChI

InChI=1S/C18H22BrN3O5S/c1-4-27-18(24)16-11(2)22-12(3)17(16)28(25,26)21-10-15(23)20-9-13-6-5-7-14(19)8-13/h5-8,21-22H,4,9-10H2,1-3H3,(H,20,23)