[2-(3-methylbutylamino)-2-oxidanylidene-ethyl] 5-(dimethylsulfamoyl)-2-piperidin-1-yl-benzoate

Systemtic Name: [2-(3-methylbutylamino)-2-oxidanylidene-ethyl] 5-(dimethylsulfamoyl)-2-piperidin-1-yl-benzoate Openeye Name: [2-(isopentylamino)-2-oxo-ethyl] 5-(dimethylsulfamoyl)-2-(1-piperidyl)benzoate CAS Name: 5-(dimethylsulfamoyl)-2-(1-piperidinyl)benzoic acid [2-(3-methylbutylamino)-2-oxoethyl] ester IUPAC Name: [2-(3-methylbutylamino)-2-oxoethyl] 5-(dimethylsulfamoyl)-2-piperidin-1-ylbenzoate Traditional Name: 5-(dimethylsulfamoyl)-2-piperidino-benzoic acid [2-(isoamylamino)-2-keto-ethyl] ester Formula: C21H33N3O5S MolecularWeight: 439.56882

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCNC(=O)COC(=O)C1=C(C=CC(=C1)S(=O)(=O)N(C)C)N2CCCCC2

Isomeric SMILES

CC(C)CCNC(=O)COC(=O)C1=C(C=CC(=C1)S(=O)(=O)N(C)C)N2CCCCC2

InChI

InChI=1S/C21H33N3O5S/c1-16(2)10-11-22-20(25)15-29-21(26)18-14-17(30(27,28)23(3)4)8-9-19(18)24-12-6-5-7-13-24/h8-9,14,16H,5-7,10-13,15H2,1-4H3,(H,22,25)