3-methylbutyl 2-[1-(4-chlorophenyl)sulfonyl-3-oxidanylidene-piperazin-2-yl]ethanoate

Systemtic Name: 3-methylbutyl 2-[1-(4-chlorophenyl)sulfonyl-3-oxidanylidene-piperazin-2-yl]ethanoate Openeye Name: isopentyl 2-[1-(4-chlorophenyl)sulfonyl-3-oxo-piperazin-2-yl]acetate CAS Name: 2-[1-(4-chlorophenyl)sulfonyl-3-oxo-2-piperazinyl]acetic acid 3-methylbutyl ester IUPAC Name: 3-methylbutyl 2-[1-(4-chlorophenyl)sulfonyl-3-oxopiperazin-2-yl]acetate Traditional Name: 2-[1-(4-chlorophenyl)sulfonyl-3-keto-piperazin-2-yl]acetic acid isoamyl ester Formula: C17H23ClN2O5S MolecularWeight: 402.89292

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCOC(=O)CC1C(=O)NCCN1S(=O)(=O)C2=CC=C(C=C2)Cl

Isomeric SMILES

CC(C)CCOC(=O)CC1C(=O)NCCN1S(=O)(=O)C2=CC=C(C=C2)Cl

InChI

InChI=1S/C17H23ClN2O5S/c1-12(2)7-10-25-16(21)11-15-17(22)19-8-9-20(15)26(23,24)14-5-3-13(18)4-6-14/h3-6,12,15H,7-11H2,1-2H3,(H,19,22)