4-[[4-[(E)-3-(4-methoxy-3-methyl-phenyl)prop-2-enoyl]phenyl]sulfonyl-methyl-amino]butanoic acid

Systemtic Name: 4-[[4-[(E)-3-(4-methoxy-3-methyl-phenyl)prop-2-enoyl]phenyl]sulfonyl-methyl-amino]butanoic acid Openeye Name: 4-[[4-[(E)-3-(4-methoxy-3-methyl-phenyl)prop-2-enoyl]phenyl]sulfonyl-methyl-amino]butanoic acid CAS Name: 4-[[4-[(E)-3-(4-methoxy-3-methylphenyl)-1-oxoprop-2-enyl]phenyl]sulfonyl-methylamino]butanoic acid IUPAC Name: 4-[[4-[(E)-3-(4-methoxy-3-methylphenyl)prop-2-enoyl]phenyl]sulfonyl-methylamino]butanoic acid Traditional Name: 4-[[4-[(E)-3-(4-methoxy-3-methyl-phenyl)acryloyl]phenyl]sulfonyl-methyl-amino]butyric acid Formula: C22H25NO6S MolecularWeight: 431.502

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C=CC(=O)C2=CC=C(C=C2)S(=O)(=O)N(C)CCCC(=O)O)OC

Isomeric SMILES

CC1=C(C=CC(=C1)/C=C/C(=O)C2=CC=C(C=C2)S(=O)(=O)N(C)CCCC(=O)O)OC

InChI

InChI=1S/C22H25NO6S/c1-16-15-17(7-13-21(16)29-3)6-12-20(24)18-8-10-19(11-9-18)30(27,28)23(2)14-4-5-22(25)26/h6-13,15H,4-5,14H2,1-3H3,(H,25,26)/b12-6+