N-[1-(4-methoxyphenyl)-3-methyl-butyl]-2-[(2-methyl-5-nitro-phenyl)-methylsulfonyl-amino]ethanamide

Systemtic Name: N-[1-(4-methoxyphenyl)-3-methyl-butyl]-2-[(2-methyl-5-nitro-phenyl)-methylsulfonyl-amino]ethanamide Openeye Name: N-[1-(4-methoxyphenyl)-3-methyl-butyl]-2-(2-methyl-N-methylsulfonyl-5-nitro-anilino)acetamide CAS Name: N-[1-(4-methoxyphenyl)-3-methylbutyl]-2-(2-methyl-N-methylsulfonyl-5-nitroanilino)acetamide IUPAC Name: N-[1-(4-methoxyphenyl)-3-methylbutyl]-2-(2-methyl-N-methylsulfonyl-5-nitroanilino)acetamide Traditional Name: 2-(N-mesyl-2-methyl-5-nitro-anilino)-N-[1-(4-methoxyphenyl)-3-methyl-butyl]acetamide Formula: C22H29N3O6S MolecularWeight: 463.54716

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)[N+](=O)[O-])N(CC(=O)NC(CC(C)C)C2=CC=C(C=C2)OC)S(=O)(=O)C

Isomeric SMILES

CC1=C(C=C(C=C1)[N+](=O)[O-])N(CC(=O)NC(CC(C)C)C2=CC=C(C=C2)OC)S(=O)(=O)C

InChI

InChI=1S/C22H29N3O6S/c1-15(2)12-20(17-7-10-19(31-4)11-8-17)23-22(26)14-24(32(5,29)30)21-13-18(25(27)28)9-6-16(21)3/h6-11,13,15,20H,12,14H2,1-5H3,(H,23,26)