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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H23N3O5S/c1-3-16(14-7-5-4-6-8-14)19(23)21-12-11-20-17-10-9-15(28(2,26)27)13-18(17)22(24)25/h4-10,13,16,20H,3,11-12H2,1-2H3,(H,21,23)