5-[(3-iodanylphenyl)amino]-2,2,4-trimethyl-3-(4-phenylphenyl)sulfonyl-thiomorpholine-3-carboxylic acid

Systemtic Name: 5-[(3-iodanylphenyl)amino]-2,2,4-trimethyl-3-(4-phenylphenyl)sulfonyl-thiomorpholine-3-carboxylic acid Openeye Name: 5-(3-iodoanilino)-2,2,4-trimethyl-3-(4-phenylphenyl)sulfonyl-thiomorpholine-3-carboxylic acid CAS Name: 5-(3-iodoanilino)-2,2,4-trimethyl-3-(4-phenylphenyl)sulfonyl-3-thiomorpholinecarboxylic acid IUPAC Name: 5-(3-iodoanilino)-2,2,4-trimethyl-3-(4-phenylphenyl)sulfonylthiomorpholine-3-carboxylic acid Traditional Name: 5-(3-iodoanilino)-2,2,4-trimethyl-3-(4-phenylphenyl)sulfonyl-thiomorpholine-3-carboxylic acid Formula: C26H27IN2O4S2 MolecularWeight: 622.53805

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(N(C(CS1)NC2=CC(=CC=C2)I)C)(C(=O)O)S(=O)(=O)C3=CC=C(C=C3)C4=CC=CC=C4)C

Isomeric SMILES

CC1(C(N(C(CS1)NC2=CC(=CC=C2)I)C)(C(=O)O)S(=O)(=O)C3=CC=C(C=C3)C4=CC=CC=C4)C

InChI

InChI=1S/C26H27IN2O4S2/c1-25(2)26(24(30)31,29(3)23(17-34-25)28-21-11-7-10-20(27)16-21)35(32,33)22-14-12-19(13-15-22)18-8-5-4-6-9-18/h4-16,23,28H,17H2,1-3H3,(H,30,31)