N-[2-(4-chlorophenyl)sulfonyl-2-thiophen-2-yl-ethyl]-4,5-dimethoxy-2-nitro-benzamide

Systemtic Name: N-[2-(4-chlorophenyl)sulfonyl-2-thiophen-2-yl-ethyl]-4,5-dimethoxy-2-nitro-benzamide Openeye Name: N-[2-(4-chlorophenyl)sulfonyl-2-(2-thienyl)ethyl]-4,5-dimethoxy-2-nitro-benzamide CAS Name: N-[2-(4-chlorophenyl)sulfonyl-2-thiophen-2-ylethyl]-4,5-dimethoxy-2-nitrobenzamide IUPAC Name: N-[2-(4-chlorophenyl)sulfonyl-2-thiophen-2-ylethyl]-4,5-dimethoxy-2-nitrobenzamide Traditional Name: N-[2-(4-chlorophenyl)sulfonyl-2-(2-thienyl)ethyl]-4,5-dimethoxy-2-nitro-benzamide Formula: C21H19ClN2O7S2 MolecularWeight: 510.96776

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1)C(=O)NCC(C2=CC=CS2)S(=O)(=O)C3=CC=C(C=C3)Cl)[N+](=O)[O-])OC

Isomeric SMILES

COC1=C(C=C(C(=C1)C(=O)NCC(C2=CC=CS2)S(=O)(=O)C3=CC=C(C=C3)Cl)[N+](=O)[O-])OC

InChI

InChI=1S/C21H19ClN2O7S2/c1-30-17-10-15(16(24(26)27)11-18(17)31-2)21(25)23-12-20(19-4-3-9-32-19)33(28,29)14-7-5-13(22)6-8-14/h3-11,20H,12H2,1-2H3,(H,23,25)