2-[(2-methoxy-5-nitro-phenyl)-methylsulfonyl-amino]-N-(1-phenylethyl)ethanamide

Systemtic Name: 2-[(2-methoxy-5-nitro-phenyl)-methylsulfonyl-amino]-N-(1-phenylethyl)ethanamide Openeye Name: 2-(2-methoxy-N-methylsulfonyl-5-nitro-anilino)-N-(1-phenylethyl)acetamide CAS Name: 2-(2-methoxy-N-methylsulfonyl-5-nitroanilino)-N-(1-phenylethyl)acetamide IUPAC Name: 2-(2-methoxy-N-methylsulfonyl-5-nitroanilino)-N-(1-phenylethyl)acetamide Traditional Name: 2-(N-mesyl-2-methoxy-5-nitro-anilino)-N-(1-phenylethyl)acetamide Formula: C18H21N3O6S MolecularWeight: 407.44084

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H21N3O6S/c1-13(14-7-5-4-6-8-14)19-18(22)12-20(28(3,25)26)16-11-15(21(23)24)9-10-17(16)27-2/h4-11,13H,12H2,1-3H3,(H,19,22)