3-[(4-iodophenyl)methyl-(4-methoxy-2,3,6-trimethyl-phenyl)sulfonyl-amino]-3-thiophen-2-yl-propanoic acid

Systemtic Name: 3-[(4-iodophenyl)methyl-(4-methoxy-2,3,6-trimethyl-phenyl)sulfonyl-amino]-3-thiophen-2-yl-propanoic acid Openeye Name: 3-[(4-iodophenyl)methyl-(4-methoxy-2,3,6-trimethyl-phenyl)sulfonyl-amino]-3-(2-thienyl)propanoic acid CAS Name: 3-[(4-iodophenyl)methyl-(4-methoxy-2,3,6-trimethylphenyl)sulfonylamino]-3-thiophen-2-ylpropanoic acid IUPAC Name: 3-[(4-iodophenyl)methyl-(4-methoxy-2,3,6-trimethylphenyl)sulfonylamino]-3-thiophen-2-ylpropanoic acid Traditional Name: 3-[(4-iodobenzyl)-(4-methoxy-2,3,6-trimethyl-phenyl)sulfonyl-amino]-3-(2-thienyl)propionic acid Formula: C24H26INO5S2 MolecularWeight: 599.50141

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1S(=O)(=O)N(CC2=CC=C(C=C2)I)C(CC(=O)O)C3=CC=CS3)C)C)OC

Isomeric SMILES

CC1=CC(=C(C(=C1S(=O)(=O)N(CC2=CC=C(C=C2)I)C(CC(=O)O)C3=CC=CS3)C)C)OC

InChI

InChI=1S/C24H26INO5S2/c1-15-12-21(31-4)16(2)17(3)24(15)33(29,30)26(14-18-7-9-19(25)10-8-18)20(13-23(27)28)22-6-5-11-32-22/h5-12,20H,13-14H2,1-4H3,(H,27,28)