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

Systemtic Name: N-[2-[(4-methylsulfonyl-2-nitro-phenyl)amino]ethyl]-4-thiophen-2-yl-butanamide Openeye Name: N-[2-(4-methylsulfonyl-2-nitro-anilino)ethyl]-4-(2-thienyl)butanamide CAS Name: N-[2-(4-methylsulfonyl-2-nitroanilino)ethyl]-4-thiophen-2-ylbutanamide IUPAC Name: N-[2-(4-methylsulfonyl-2-nitroanilino)ethyl]-4-thiophen-2-ylbutanamide Traditional Name: N-[2-(4-mesyl-2-nitro-anilino)ethyl]-4-(2-thienyl)butyramide Formula: C17H21N3O5S2 MolecularWeight: 411.49574

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC(=C(C=C1)NCCNC(=O)CCCC2=CC=CS2)[N+](=O)[O-]

Isomeric SMILES

CS(=O)(=O)C1=CC(=C(C=C1)NCCNC(=O)CCCC2=CC=CS2)[N+](=O)[O-]

InChI

InChI=1S/C17H21N3O5S2/c1-27(24,25)14-7-8-15(16(12-14)20(22)23)18-9-10-19-17(21)6-2-4-13-5-3-11-26-13/h3,5,7-8,11-12,18H,2,4,6,9-10H2,1H3,(H,19,21)