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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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