3-[[4-[3-(2-methyl-4-oxidanylidene-pent-1-en-3-yl)sulfonylbutyl]phenyl]amino]-3-oxidanylidene-propanoic acid

Systemtic Name: 3-[[4-[3-(2-methyl-4-oxidanylidene-pent-1-en-3-yl)sulfonylbutyl]phenyl]amino]-3-oxidanylidene-propanoic acid Openeye Name: 3-[4-[3-(1-acetyl-2-methyl-allyl)sulfonylbutyl]anilino]-3-oxo-propanoic acid CAS Name: 3-[4-[3-(2-methyl-4-oxopent-1-en-3-yl)sulfonylbutyl]anilino]-3-oxopropanoic acid IUPAC Name: 3-[4-[3-(2-methyl-4-oxopent-1-en-3-yl)sulfonylbutyl]anilino]-3-oxopropanoic acid Traditional Name: 3-[4-[3-(1-acetyl-2-methyl-allyl)sulfonylbutyl]anilino]-3-keto-propionic acid Formula: C19H25NO6S MolecularWeight: 395.4699

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H25NO6S/c1-12(2)19(14(4)21)27(25,26)13(3)5-6-15-7-9-16(10-8-15)20-17(22)11-18(23)24/h7-10,13,19H,1,5-6,11H2,2-4H3,(H,20,22)(H,23,24)