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

Systemtic Name: 2-[(2-methoxy-5-nitro-phenyl)-methylsulfonyl-amino]-N-(3-methyl-1-phenyl-butyl)ethanamide Openeye Name: 2-(2-methoxy-N-methylsulfonyl-5-nitro-anilino)-N-(3-methyl-1-phenyl-butyl)acetamide CAS Name: 2-(2-methoxy-N-methylsulfonyl-5-nitroanilino)-N-(3-methyl-1-phenylbutyl)acetamide IUPAC Name: 2-(2-methoxy-N-methylsulfonyl-5-nitroanilino)-N-(3-methyl-1-phenylbutyl)acetamide Traditional Name: 2-(N-mesyl-2-methoxy-5-nitro-anilino)-N-(3-methyl-1-phenyl-butyl)acetamide Formula: C21H27N3O6S MolecularWeight: 449.52058

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H27N3O6S/c1-15(2)12-18(16-8-6-5-7-9-16)22-21(25)14-23(31(4,28)29)19-13-17(24(26)27)10-11-20(19)30-3/h5-11,13,15,18H,12,14H2,1-4H3,(H,22,25)