ethyl 4-iodanyl-3-[(4-methylphenyl)sulfonylamino]-2-(phenylmethyl)butanoate

Systemtic Name: ethyl 4-iodanyl-3-[(4-methylphenyl)sulfonylamino]-2-(phenylmethyl)butanoate Openeye Name: ethyl 2-benzyl-4-iodo-3-(p-tolylsulfonylamino)butanoate CAS Name: 4-iodo-3-[(4-methylphenyl)sulfonylamino]-2-(phenylmethyl)butanoic acid ethyl ester IUPAC Name: ethyl 2-benzyl-4-iodo-3-[(4-methylphenyl)sulfonylamino]butanoate Traditional Name: 2-benzyl-4-iodo-3-(tosylamino)butyric acid ethyl ester Formula: C20H24INO4S MolecularWeight: 501.37833

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CC1=CC=CC=C1)C(CI)NS(=O)(=O)C2=CC=C(C=C2)C

Isomeric SMILES

CCOC(=O)C(CC1=CC=CC=C1)C(CI)NS(=O)(=O)C2=CC=C(C=C2)C

InChI

InChI=1S/C20H24INO4S/c1-3-26-20(23)18(13-16-7-5-4-6-8-16)19(14-21)22-27(24,25)17-11-9-15(2)10-12-17/h4-12,18-19,22H,3,13-14H2,1-2H3