[2-(butan-2-ylamino)-2-oxidanylidene-ethyl] 5-(diethylsulfamoyl)-2-pyrrolidin-1-yl-benzoate

Systemtic Name: [2-(butan-2-ylamino)-2-oxidanylidene-ethyl] 5-(diethylsulfamoyl)-2-pyrrolidin-1-yl-benzoate Openeye Name: [2-oxo-2-(sec-butylamino)ethyl] 5-(diethylsulfamoyl)-2-pyrrolidin-1-yl-benzoate CAS Name: 5-(diethylsulfamoyl)-2-(1-pyrrolidinyl)benzoic acid [2-(butan-2-ylamino)-2-oxoethyl] ester IUPAC Name: [2-(butan-2-ylamino)-2-oxoethyl] 5-(diethylsulfamoyl)-2-pyrrolidin-1-ylbenzoate Traditional Name: 5-(diethylsulfamoyl)-2-pyrrolidino-benzoic acid [2-keto-2-(sec-butylamino)ethyl] ester Formula: C21H33N3O5S MolecularWeight: 439.56882

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)NC(=O)COC(=O)C1=C(C=CC(=C1)S(=O)(=O)N(CC)CC)N2CCCC2

Isomeric SMILES

CCC(C)NC(=O)COC(=O)C1=C(C=CC(=C1)S(=O)(=O)N(CC)CC)N2CCCC2

InChI

InChI=1S/C21H33N3O5S/c1-5-16(4)22-20(25)15-29-21(26)18-14-17(30(27,28)24(6-2)7-3)10-11-19(18)23-12-8-9-13-23/h10-11,14,16H,5-9,12-13,15H2,1-4H3,(H,22,25)