N-[2-[(4-methylsulfonyl-2-nitro-phenyl)amino]ethyl]-4-(2-phenylethynyl)benzamide

Systemtic Name: N-[2-[(4-methylsulfonyl-2-nitro-phenyl)amino]ethyl]-4-(2-phenylethynyl)benzamide Openeye Name: N-[2-(4-methylsulfonyl-2-nitro-anilino)ethyl]-4-(2-phenylethynyl)benzamide CAS Name: N-[2-(4-methylsulfonyl-2-nitroanilino)ethyl]-4-(2-phenylethynyl)benzamide IUPAC Name: N-[2-(4-methylsulfonyl-2-nitroanilino)ethyl]-4-(2-phenylethynyl)benzamide Traditional Name: N-[2-(4-mesyl-2-nitro-anilino)ethyl]-4-(2-phenylethynyl)benzamide Formula: C24H21N3O5S MolecularWeight: 463.50564

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC(=C(C=C1)NCCNC(=O)C2=CC=C(C=C2)C#CC3=CC=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CS(=O)(=O)C1=CC(=C(C=C1)NCCNC(=O)C2=CC=C(C=C2)C#CC3=CC=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C24H21N3O5S/c1-33(31,32)21-13-14-22(23(17-21)27(29)30)25-15-16-26-24(28)20-11-9-19(10-12-20)8-7-18-5-3-2-4-6-18/h2-6,9-14,17,25H,15-16H2,1H3,(H,26,28)