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

Systemtic Name: ethyl 4-[4-(3-methylbutanoyl)piperazin-1-yl]sulfonylbenzoate Openeye Name: ethyl 4-[4-(3-methylbutanoyl)piperazin-1-yl]sulfonylbenzoate CAS Name: 4-[[4-(3-methyl-1-oxobutyl)-1-piperazinyl]sulfonyl]benzoic acid ethyl ester IUPAC Name: ethyl 4-[4-(3-methylbutanoyl)piperazin-1-yl]sulfonylbenzoate Traditional Name: 4-(4-isovalerylpiperazino)sulfonylbenzoic acid ethyl ester Formula: C18H26N2O5S MolecularWeight: 382.47444

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H26N2O5S/c1-4-25-18(22)15-5-7-16(8-6-15)26(23,24)20-11-9-19(10-12-20)17(21)13-14(2)3/h5-8,14H,4,9-13H2,1-3H3