N-[1-[3-iodanyl-4-(phenylmethyl)-2-propan-2-ylsulfonyl-phenyl]-3-oxidanylidene-propyl]methanamide

Systemtic Name: N-[1-[3-iodanyl-4-(phenylmethyl)-2-propan-2-ylsulfonyl-phenyl]-3-oxidanylidene-propyl]methanamide Openeye Name: N-[1-(4-benzyl-3-iodo-2-isopropylsulfonyl-phenyl)-3-oxo-propyl]formamide CAS Name: N-[1-[3-iodo-4-(phenylmethyl)-2-propan-2-ylsulfonylphenyl]-3-oxopropyl]formamide IUPAC Name: N-[1-(4-benzyl-3-iodo-2-propan-2-ylsulfonylphenyl)-3-oxopropyl]formamide Traditional Name: N-[1-(4-benzyl-3-iodo-2-isopropylsulfonyl-phenyl)-3-keto-propyl]formamide Formula: C20H22INO4S MolecularWeight: 499.36245

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)S(=O)(=O)C1=C(C=CC(=C1I)CC2=CC=CC=C2)C(CC=O)NC=O

Isomeric SMILES

CC(C)S(=O)(=O)C1=C(C=CC(=C1I)CC2=CC=CC=C2)C(CC=O)NC=O

InChI

InChI=1S/C20H22INO4S/c1-14(2)27(25,26)20-17(18(10-11-23)22-13-24)9-8-16(19(20)21)12-15-6-4-3-5-7-15/h3-9,11,13-14,18H,10,12H2,1-2H3,(H,22,24)