2-[[3-[(E)-3-(4-tert-butylphenyl)prop-2-enoyl]phenyl]sulfonylamino]ethanoic acid

Systemtic Name: 2-[[3-[(E)-3-(4-tert-butylphenyl)prop-2-enoyl]phenyl]sulfonylamino]ethanoic acid Openeye Name: 2-[[3-[(E)-3-(4-tert-butylphenyl)prop-2-enoyl]phenyl]sulfonylamino]acetic acid CAS Name: 2-[[3-[(E)-3-(4-tert-butylphenyl)-1-oxoprop-2-enyl]phenyl]sulfonylamino]acetic acid IUPAC Name: 2-[[3-[(E)-3-(4-tert-butylphenyl)prop-2-enoyl]phenyl]sulfonylamino]acetic acid Traditional Name: 2-[[3-[(E)-3-(4-tert-butylphenyl)acryloyl]phenyl]sulfonylamino]acetic acid Formula: C21H23NO5S MolecularWeight: 401.47602

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C=CC(=O)C2=CC(=CC=C2)S(=O)(=O)NCC(=O)O

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)/C=C/C(=O)C2=CC(=CC=C2)S(=O)(=O)NCC(=O)O

InChI

InChI=1S/C21H23NO5S/c1-21(2,3)17-10-7-15(8-11-17)9-12-19(23)16-5-4-6-18(13-16)28(26,27)22-14-20(24)25/h4-13,22H,14H2,1-3H3,(H,24,25)/b12-9+