3-methylbutyl 2-[3-oxidanylidene-1-(phenylsulfonyl)piperazin-2-yl]ethanoate

Systemtic Name: 3-methylbutyl 2-[3-oxidanylidene-1-(phenylsulfonyl)piperazin-2-yl]ethanoate Openeye Name: isopentyl 2-[1-(benzenesulfonyl)-3-oxo-piperazin-2-yl]acetate CAS Name: 2-[1-(benzenesulfonyl)-3-oxo-2-piperazinyl]acetic acid 3-methylbutyl ester IUPAC Name: 3-methylbutyl 2-[1-(benzenesulfonyl)-3-oxopiperazin-2-yl]acetate Traditional Name: 2-(1-besyl-3-keto-piperazin-2-yl)acetic acid isoamyl ester Formula: C17H24N2O5S MolecularWeight: 368.44786

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H24N2O5S/c1-13(2)8-11-24-16(20)12-15-17(21)18-9-10-19(15)25(22,23)14-6-4-3-5-7-14/h3-7,13,15H,8-12H2,1-2H3,(H,18,21)