methyl 5-oxidanylidene-5-[[4-[3-(2-oxidanylidenepropylsulfonyl)butyl]phenyl]amino]pentanoate

Systemtic Name: methyl 5-oxidanylidene-5-[[4-[3-(2-oxidanylidenepropylsulfonyl)butyl]phenyl]amino]pentanoate Openeye Name: methyl 5-[4-(3-acetonylsulfonylbutyl)anilino]-5-oxo-pentanoate CAS Name: 5-oxo-5-[4-[3-(2-oxopropylsulfonyl)butyl]anilino]pentanoic acid methyl ester IUPAC Name: methyl 5-oxo-5-[4-[3-(2-oxopropylsulfonyl)butyl]anilino]pentanoate Traditional Name: 5-[4-(3-acetonylsulfonylbutyl)anilino]-5-keto-valeric acid methyl ester Formula: C19H27NO6S MolecularWeight: 397.48578

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCC1=CC=C(C=C1)NC(=O)CCCC(=O)OC)S(=O)(=O)CC(=O)C

Isomeric SMILES

CC(CCC1=CC=C(C=C1)NC(=O)CCCC(=O)OC)S(=O)(=O)CC(=O)C

InChI

InChI=1S/C19H27NO6S/c1-14(21)13-27(24,25)15(2)7-8-16-9-11-17(12-10-16)20-18(22)5-4-6-19(23)26-3/h9-12,15H,4-8,13H2,1-3H3,(H,20,22)