ethyl 4-[4-(3,3-dimethylbutanoyl)piperazin-1-yl]sulfonylbenzoate

Systemtic Name: ethyl 4-[4-(3,3-dimethylbutanoyl)piperazin-1-yl]sulfonylbenzoate Openeye Name: ethyl 4-[4-(3,3-dimethylbutanoyl)piperazin-1-yl]sulfonylbenzoate CAS Name: 4-[[4-(3,3-dimethyl-1-oxobutyl)-1-piperazinyl]sulfonyl]benzoic acid ethyl ester IUPAC Name: ethyl 4-[4-(3,3-dimethylbutanoyl)piperazin-1-yl]sulfonylbenzoate Traditional Name: 4-[4-(3,3-dimethylbutanoyl)piperazino]sulfonylbenzoic acid ethyl ester Formula: C19H28N2O5S MolecularWeight: 396.50102

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)CC(C)(C)C

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)CC(C)(C)C

InChI

InChI=1S/C19H28N2O5S/c1-5-26-18(23)15-6-8-16(9-7-15)27(24,25)21-12-10-20(11-13-21)17(22)14-19(2,3)4/h6-9H,5,10-14H2,1-4H3