N-[2-(3,4-dimethylphenyl)sulfanylethyl]-2-nitro-benzenesulfonamide

Systemtic Name: N-[2-(3,4-dimethylphenyl)sulfanylethyl]-2-nitro-benzenesulfonamide Openeye Name: N-[2-(3,4-dimethylphenyl)sulfanylethyl]-2-nitro-benzenesulfonamide CAS Name: N-[2-[(3,4-dimethylphenyl)thio]ethyl]-2-nitrobenzenesulfonamide IUPAC Name: N-[2-(3,4-dimethylphenyl)sulfanylethyl]-2-nitrobenzenesulfonamide Traditional Name: N-[2-[(3,4-dimethylphenyl)thio]ethyl]-2-nitro-benzenesulfonamide Formula: C16H18N2O4S2 MolecularWeight: 366.45512

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H18N2O4S2/c1-12-7-8-14(11-13(12)2)23-10-9-17-24(21,22)16-6-4-3-5-15(16)18(19)20/h3-8,11,17H,9-10H2,1-2H3