2-(5,6-dimethyl-1-benzofuran-3-yl)-N-[2-[(4-methylsulfonyl-2-nitro-phenyl)amino]ethyl]ethanamide

Systemtic Name: 2-(5,6-dimethyl-1-benzofuran-3-yl)-N-[2-[(4-methylsulfonyl-2-nitro-phenyl)amino]ethyl]ethanamide Openeye Name: 2-(5,6-dimethylbenzofuran-3-yl)-N-[2-(4-methylsulfonyl-2-nitro-anilino)ethyl]acetamide CAS Name: 2-(5,6-dimethyl-3-benzofuranyl)-N-[2-(4-methylsulfonyl-2-nitroanilino)ethyl]acetamide IUPAC Name: 2-(5,6-dimethyl-1-benzofuran-3-yl)-N-[2-(4-methylsulfonyl-2-nitroanilino)ethyl]acetamide Traditional Name: 2-(5,6-dimethylbenzofuran-3-yl)-N-[2-(4-mesyl-2-nitro-anilino)ethyl]acetamide Formula: C21H23N3O6S MolecularWeight: 445.48882

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C(=C1)C(=CO2)CC(=O)NCCNC3=C(C=C(C=C3)S(=O)(=O)C)[N+](=O)[O-])C

Isomeric SMILES

CC1=C(C=C2C(=C1)C(=CO2)CC(=O)NCCNC3=C(C=C(C=C3)S(=O)(=O)C)[N+](=O)[O-])C

InChI

InChI=1S/C21H23N3O6S/c1-13-8-17-15(12-30-20(17)9-14(13)2)10-21(25)23-7-6-22-18-5-4-16(31(3,28)29)11-19(18)24(26)27/h4-5,8-9,11-12,22H,6-7,10H2,1-3H3,(H,23,25)