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

Systemtic Name: 5-chloranyl-N-[2-(4-methylphenyl)sulfonyl-2-thiophen-2-yl-ethyl]-2-nitro-benzamide Openeye Name: 5-chloro-2-nitro-N-[2-(p-tolylsulfonyl)-2-(2-thienyl)ethyl]benzamide CAS Name: 5-chloro-N-[2-(4-methylphenyl)sulfonyl-2-thiophen-2-ylethyl]-2-nitrobenzamide IUPAC Name: 5-chloro-N-[2-(4-methylphenyl)sulfonyl-2-thiophen-2-ylethyl]-2-nitrobenzamide Traditional Name: 5-chloro-2-nitro-N-[2-(2-thienyl)-2-tosyl-ethyl]benzamide Formula: C20H17ClN2O5S2 MolecularWeight: 464.94238

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H17ClN2O5S2/c1-13-4-7-15(8-5-13)30(27,28)19(18-3-2-10-29-18)12-22-20(24)16-11-14(21)6-9-17(16)23(25)26/h2-11,19H,12H2,1H3,(H,22,24)