N-[2-(4-chlorophenyl)sulfonyl-2-thiophen-2-yl-ethyl]-2-methyl-3-nitro-benzamide

Systemtic Name: N-[2-(4-chlorophenyl)sulfonyl-2-thiophen-2-yl-ethyl]-2-methyl-3-nitro-benzamide Openeye Name: N-[2-(4-chlorophenyl)sulfonyl-2-(2-thienyl)ethyl]-2-methyl-3-nitro-benzamide CAS Name: N-[2-(4-chlorophenyl)sulfonyl-2-thiophen-2-ylethyl]-2-methyl-3-nitrobenzamide IUPAC Name: N-[2-(4-chlorophenyl)sulfonyl-2-thiophen-2-ylethyl]-2-methyl-3-nitrobenzamide Traditional Name: N-[2-(4-chlorophenyl)sulfonyl-2-(2-thienyl)ethyl]-2-methyl-3-nitro-benzamide Formula: C20H17ClN2O5S2 MolecularWeight: 464.94238

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1[N+](=O)[O-])C(=O)NCC(C2=CC=CS2)S(=O)(=O)C3=CC=C(C=C3)Cl

Isomeric SMILES

CC1=C(C=CC=C1[N+](=O)[O-])C(=O)NCC(C2=CC=CS2)S(=O)(=O)C3=CC=C(C=C3)Cl

InChI

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