N-[2-[(4-methylsulfonyl-2-nitro-phenyl)amino]ethyl]-3-phenyl-butanamide

Systemtic Name: N-[2-[(4-methylsulfonyl-2-nitro-phenyl)amino]ethyl]-3-phenyl-butanamide Openeye Name: N-[2-(4-methylsulfonyl-2-nitro-anilino)ethyl]-3-phenyl-butanamide CAS Name: N-[2-(4-methylsulfonyl-2-nitroanilino)ethyl]-3-phenylbutanamide IUPAC Name: N-[2-(4-methylsulfonyl-2-nitroanilino)ethyl]-3-phenylbutanamide Traditional Name: N-[2-(4-mesyl-2-nitro-anilino)ethyl]-3-phenyl-butyramide Formula: C19H23N3O5S MolecularWeight: 405.46802

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H23N3O5S/c1-14(15-6-4-3-5-7-15)12-19(23)21-11-10-20-17-9-8-16(28(2,26)27)13-18(17)22(24)25/h3-9,13-14,20H,10-12H2,1-2H3,(H,21,23)