4-[(3-iodanylphenyl)amino]-N-[(2S)-1-methoxypropan-2-yl]-3-nitro-benzenesulfonamide

Systemtic Name: 4-[(3-iodanylphenyl)amino]-N-[(2S)-1-methoxypropan-2-yl]-3-nitro-benzenesulfonamide Openeye Name: 4-(3-iodoanilino)-N-[(1S)-2-methoxy-1-methyl-ethyl]-3-nitro-benzenesulfonamide CAS Name: 4-(3-iodoanilino)-N-[(2S)-1-methoxypropan-2-yl]-3-nitrobenzenesulfonamide IUPAC Name: 4-(3-iodoanilino)-N-[(2S)-1-methoxypropan-2-yl]-3-nitrobenzenesulfonamide Traditional Name: 4-(3-iodoanilino)-N-[(1S)-2-methoxy-1-methyl-ethyl]-3-nitro-benzenesulfonamide Formula: C16H18IN3O5S MolecularWeight: 491.30069

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Descriptors Computed from Structure

Canonical SMILES:

CC(COC)NS(=O)(=O)C1=CC(=C(C=C1)NC2=CC(=CC=C2)I)[N+](=O)[O-]

Isomeric SMILES

C[C@@H](COC)NS(=O)(=O)C1=CC(=C(C=C1)NC2=CC(=CC=C2)I)[N+](=O)[O-]

InChI

InChI=1S/C16H18IN3O5S/c1-11(10-25-2)19-26(23,24)14-6-7-15(16(9-14)20(21)22)18-13-5-3-4-12(17)8-13/h3-9,11,18-19H,10H2,1-2H3/t11-/m0/s1