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

Systemtic Name: N-[(2R)-1-methoxypropan-2-yl]-3-nitro-4-phenylsulfanyl-benzenesulfonamide Openeye Name: N-[(1R)-2-methoxy-1-methyl-ethyl]-3-nitro-4-phenylsulfanyl-benzenesulfonamide CAS Name: N-[(2R)-1-methoxypropan-2-yl]-3-nitro-4-(phenylthio)benzenesulfonamide IUPAC Name: N-[(2R)-1-methoxypropan-2-yl]-3-nitro-4-phenylsulfanylbenzenesulfonamide Traditional Name: N-[(1R)-2-methoxy-1-methyl-ethyl]-3-nitro-4-(phenylthio)benzenesulfonamide Formula: C16H18N2O5S2 MolecularWeight: 382.45452

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H18N2O5S2/c1-12(11-23-2)17-25(21,22)14-8-9-16(15(10-14)18(19)20)24-13-6-4-3-5-7-13/h3-10,12,17H,11H2,1-2H3/t12-/m1/s1