4-(4-methoxyphenyl)sulfanyl-N-[(2R)-1-methoxypropan-2-yl]-3-nitro-benzenesulfonamide

Systemtic Name: 4-(4-methoxyphenyl)sulfanyl-N-[(2R)-1-methoxypropan-2-yl]-3-nitro-benzenesulfonamide Openeye Name: N-[(1R)-2-methoxy-1-methyl-ethyl]-4-(4-methoxyphenyl)sulfanyl-3-nitro-benzenesulfonamide CAS Name: 4-[(4-methoxyphenyl)thio]-N-[(2R)-1-methoxypropan-2-yl]-3-nitrobenzenesulfonamide IUPAC Name: 4-(4-methoxyphenyl)sulfanyl-N-[(2R)-1-methoxypropan-2-yl]-3-nitrobenzenesulfonamide Traditional Name: N-[(1R)-2-methoxy-1-methyl-ethyl]-4-[(4-methoxyphenyl)thio]-3-nitro-benzenesulfonamide Formula: C17H20N2O6S2 MolecularWeight: 412.4805

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Descriptors Computed from Structure

Canonical SMILES:

CC(COC)NS(=O)(=O)C1=CC(=C(C=C1)SC2=CC=C(C=C2)OC)[N+](=O)[O-]

Isomeric SMILES

C[C@H](COC)NS(=O)(=O)C1=CC(=C(C=C1)SC2=CC=C(C=C2)OC)[N+](=O)[O-]

InChI

InChI=1S/C17H20N2O6S2/c1-12(11-24-2)18-27(22,23)15-8-9-17(16(10-15)19(20)21)26-14-6-4-13(25-3)5-7-14/h4-10,12,18H,11H2,1-3H3/t12-/m1/s1