N-[2-(4-methylphenyl)sulfonyl-2-thiophen-2-yl-ethyl]-2-nitro-benzamide

Systemtic Name: N-[2-(4-methylphenyl)sulfonyl-2-thiophen-2-yl-ethyl]-2-nitro-benzamide Openeye Name: 2-nitro-N-[2-(p-tolylsulfonyl)-2-(2-thienyl)ethyl]benzamide CAS Name: N-[2-(4-methylphenyl)sulfonyl-2-thiophen-2-ylethyl]-2-nitrobenzamide IUPAC Name: N-[2-(4-methylphenyl)sulfonyl-2-thiophen-2-ylethyl]-2-nitrobenzamide Traditional Name: 2-nitro-N-[2-(2-thienyl)-2-tosyl-ethyl]benzamide Formula: C20H18N2O5S2 MolecularWeight: 430.49732

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)C(CNC(=O)C2=CC=CC=C2[N+](=O)[O-])C3=CC=CS3

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)C(CNC(=O)C2=CC=CC=C2[N+](=O)[O-])C3=CC=CS3

InChI

InChI=1S/C20H18N2O5S2/c1-14-8-10-15(11-9-14)29(26,27)19(18-7-4-12-28-18)13-21-20(23)16-5-2-3-6-17(16)22(24)25/h2-12,19H,13H2,1H3,(H,21,23)