N-[(2R)-1-[(R)-(4-methylphenyl)sulfinyl]but-3-en-2-yl]-2-nitro-benzenesulfonamide

Systemtic Name: N-[(2R)-1-[(R)-(4-methylphenyl)sulfinyl]but-3-en-2-yl]-2-nitro-benzenesulfonamide Openeye Name: 2-nitro-N-[(1R)-1-[[(R)-p-tolylsulfinyl]methyl]allyl]benzenesulfonamide CAS Name: N-[(2R)-1-[(R)-(4-methylphenyl)sulfinyl]but-3-en-2-yl]-2-nitrobenzenesulfonamide IUPAC Name: N-[(2R)-1-[(R)-(4-methylphenyl)sulfinyl]but-3-en-2-yl]-2-nitrobenzenesulfonamide Traditional Name: 2-nitro-N-[(1R)-1-[[(R)-p-tolylsulfinyl]methyl]allyl]benzenesulfonamide Formula: C17H18N2O5S2 MolecularWeight: 394.46522

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)CC(C=C)NS(=O)(=O)C2=CC=CC=C2[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)[S@](=O)C[C@@H](C=C)NS(=O)(=O)C2=CC=CC=C2[N+](=O)[O-]

InChI

InChI=1S/C17H18N2O5S2/c1-3-14(12-25(22)15-10-8-13(2)9-11-15)18-26(23,24)17-7-5-4-6-16(17)19(20)21/h3-11,14,18H,1,12H2,2H3/t14-,25-/m1/s1