4-(4-tert-butylphenoxy)-N-[2-[(4-methylsulfonyl-2-nitro-phenyl)amino]ethyl]butanamide

Systemtic Name: 4-(4-tert-butylphenoxy)-N-[2-[(4-methylsulfonyl-2-nitro-phenyl)amino]ethyl]butanamide Openeye Name: 4-(4-tert-butylphenoxy)-N-[2-(4-methylsulfonyl-2-nitro-anilino)ethyl]butanamide CAS Name: 4-(4-tert-butylphenoxy)-N-[2-(4-methylsulfonyl-2-nitroanilino)ethyl]butanamide IUPAC Name: 4-(4-tert-butylphenoxy)-N-[2-(4-methylsulfonyl-2-nitroanilino)ethyl]butanamide Traditional Name: 4-(4-tert-butylphenoxy)-N-[2-(4-mesyl-2-nitro-anilino)ethyl]butyramide Formula: C23H31N3O6S MolecularWeight: 477.57374

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)OCCCC(=O)NCCNC2=C(C=C(C=C2)S(=O)(=O)C)[N+](=O)[O-]

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)OCCCC(=O)NCCNC2=C(C=C(C=C2)S(=O)(=O)C)[N+](=O)[O-]

InChI

InChI=1S/C23H31N3O6S/c1-23(2,3)17-7-9-18(10-8-17)32-15-5-6-22(27)25-14-13-24-20-12-11-19(33(4,30)31)16-21(20)26(28)29/h7-12,16,24H,5-6,13-15H2,1-4H3,(H,25,27)