(2S)-N-[2-[(4-methylsulfonyl-2-nitro-phenyl)amino]ethyl]-2-phenoxy-propanamide

Systemtic Name: (2S)-N-[2-[(4-methylsulfonyl-2-nitro-phenyl)amino]ethyl]-2-phenoxy-propanamide Openeye Name: (2S)-N-[2-(4-methylsulfonyl-2-nitro-anilino)ethyl]-2-phenoxy-propanamide CAS Name: (2S)-N-[2-(4-methylsulfonyl-2-nitroanilino)ethyl]-2-phenoxypropanamide IUPAC Name: (2S)-N-[2-(4-methylsulfonyl-2-nitroanilino)ethyl]-2-phenoxypropanamide Traditional Name: (2S)-N-[2-(4-mesyl-2-nitro-anilino)ethyl]-2-phenoxy-propionamide Formula: C18H21N3O6S MolecularWeight: 407.44084

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCCNC1=C(C=C(C=C1)S(=O)(=O)C)[N+](=O)[O-])OC2=CC=CC=C2

Isomeric SMILES

C[C@@H](C(=O)NCCNC1=C(C=C(C=C1)S(=O)(=O)C)[N+](=O)[O-])OC2=CC=CC=C2

InChI

InChI=1S/C18H21N3O6S/c1-13(27-14-6-4-3-5-7-14)18(22)20-11-10-19-16-9-8-15(28(2,25)26)12-17(16)21(23)24/h3-9,12-13,19H,10-11H2,1-2H3,(H,20,22)/t13-/m0/s1