[2-[1-(4-bromophenyl)propylamino]-2-oxidanylidene-ethyl] 5-(diethylsulfamoyl)-2-pyrrolidin-1-yl-benzoate

Systemtic Name: [2-[1-(4-bromophenyl)propylamino]-2-oxidanylidene-ethyl] 5-(diethylsulfamoyl)-2-pyrrolidin-1-yl-benzoate Openeye Name: [2-[1-(4-bromophenyl)propylamino]-2-oxo-ethyl] 5-(diethylsulfamoyl)-2-pyrrolidin-1-yl-benzoate CAS Name: 5-(diethylsulfamoyl)-2-(1-pyrrolidinyl)benzoic acid [2-[1-(4-bromophenyl)propylamino]-2-oxoethyl] ester IUPAC Name: [2-[1-(4-bromophenyl)propylamino]-2-oxoethyl] 5-(diethylsulfamoyl)-2-pyrrolidin-1-ylbenzoate Traditional Name: 5-(diethylsulfamoyl)-2-pyrrolidino-benzoic acid [2-[1-(4-bromophenyl)propylamino]-2-keto-ethyl] ester Formula: C26H34BrN3O5S MolecularWeight: 580.53426

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C1=CC=C(C=C1)Br)NC(=O)COC(=O)C2=C(C=CC(=C2)S(=O)(=O)N(CC)CC)N3CCCC3

Isomeric SMILES

CCC(C1=CC=C(C=C1)Br)NC(=O)COC(=O)C2=C(C=CC(=C2)S(=O)(=O)N(CC)CC)N3CCCC3

InChI

InChI=1S/C26H34BrN3O5S/c1-4-23(19-9-11-20(27)12-10-19)28-25(31)18-35-26(32)22-17-21(36(33,34)30(5-2)6-3)13-14-24(22)29-15-7-8-16-29/h9-14,17,23H,4-8,15-16,18H2,1-3H3,(H,28,31)