N-[1-(4-tert-butylphenyl)ethyl]-2-[(2-methoxy-5-nitro-phenyl)-methylsulfonyl-amino]ethanamide

Systemtic Name: N-[1-(4-tert-butylphenyl)ethyl]-2-[(2-methoxy-5-nitro-phenyl)-methylsulfonyl-amino]ethanamide Openeye Name: N-[1-(4-tert-butylphenyl)ethyl]-2-(2-methoxy-N-methylsulfonyl-5-nitro-anilino)acetamide CAS Name: N-[1-(4-tert-butylphenyl)ethyl]-2-(2-methoxy-N-methylsulfonyl-5-nitroanilino)acetamide IUPAC Name: N-[1-(4-tert-butylphenyl)ethyl]-2-(2-methoxy-N-methylsulfonyl-5-nitroanilino)acetamide Traditional Name: N-[1-(4-tert-butylphenyl)ethyl]-2-(N-mesyl-2-methoxy-5-nitro-anilino)acetamide Formula: C22H29N3O6S MolecularWeight: 463.54716

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H29N3O6S/c1-15(16-7-9-17(10-8-16)22(2,3)4)23-21(26)14-24(32(6,29)30)19-13-18(25(27)28)11-12-20(19)31-5/h7-13,15H,14H2,1-6H3,(H,23,26)