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

Systemtic Name: 3-methylbutyl 2-[1-(4-acetamidophenyl)sulfonyl-3-oxidanylidene-piperazin-2-yl]ethanoate Openeye Name: isopentyl 2-[1-(4-acetamidophenyl)sulfonyl-3-oxo-piperazin-2-yl]acetate CAS Name: 2-[1-(4-acetamidophenyl)sulfonyl-3-oxo-2-piperazinyl]acetic acid 3-methylbutyl ester IUPAC Name: 3-methylbutyl 2-[1-(4-acetamidophenyl)sulfonyl-3-oxopiperazin-2-yl]acetate Traditional Name: 2-[1-(4-acetamidophenyl)sulfonyl-3-keto-piperazin-2-yl]acetic acid isoamyl ester Formula: C19H27N3O6S MolecularWeight: 425.49918

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H27N3O6S/c1-13(2)8-11-28-18(24)12-17-19(25)20-9-10-22(17)29(26,27)16-6-4-15(5-7-16)21-14(3)23/h4-7,13,17H,8-12H2,1-3H3,(H,20,25)(H,21,23)