ethyl 3-bromanyl-4-[methyl-[(2-pyrrolidin-1-ylphenyl)methyl]sulfamoyl]benzoate

Systemtic Name: ethyl 3-bromanyl-4-[methyl-[(2-pyrrolidin-1-ylphenyl)methyl]sulfamoyl]benzoate Openeye Name: ethyl 3-bromo-4-[methyl-[(2-pyrrolidin-1-ylphenyl)methyl]sulfamoyl]benzoate CAS Name: 3-bromo-4-[methyl-[[2-(1-pyrrolidinyl)phenyl]methyl]sulfamoyl]benzoic acid ethyl ester IUPAC Name: ethyl 3-bromo-4-[methyl-[(2-pyrrolidin-1-ylphenyl)methyl]sulfamoyl]benzoate Traditional Name: 3-bromo-4-[methyl-(2-pyrrolidinobenzyl)sulfamoyl]benzoic acid ethyl ester Formula: C21H25BrN2O4S MolecularWeight: 481.4032

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=C(C=C1)S(=O)(=O)N(C)CC2=CC=CC=C2N3CCCC3)Br

Isomeric SMILES

CCOC(=O)C1=CC(=C(C=C1)S(=O)(=O)N(C)CC2=CC=CC=C2N3CCCC3)Br

InChI

InChI=1S/C21H25BrN2O4S/c1-3-28-21(25)16-10-11-20(18(22)14-16)29(26,27)23(2)15-17-8-4-5-9-19(17)24-12-6-7-13-24/h4-5,8-11,14H,3,6-7,12-13,15H2,1-2H3