4-(5-bromanylthiophen-2-yl)-N-[2-[(4-methylsulfonyl-2-nitro-phenyl)amino]ethyl]butanamide

Systemtic Name: 4-(5-bromanylthiophen-2-yl)-N-[2-[(4-methylsulfonyl-2-nitro-phenyl)amino]ethyl]butanamide Openeye Name: 4-(5-bromo-2-thienyl)-N-[2-(4-methylsulfonyl-2-nitro-anilino)ethyl]butanamide CAS Name: 4-(5-bromo-2-thiophenyl)-N-[2-(4-methylsulfonyl-2-nitroanilino)ethyl]butanamide IUPAC Name: 4-(5-bromothiophen-2-yl)-N-[2-(4-methylsulfonyl-2-nitroanilino)ethyl]butanamide Traditional Name: 4-(5-bromo-2-thienyl)-N-[2-(4-mesyl-2-nitro-anilino)ethyl]butyramide Formula: C17H20BrN3O5S2 MolecularWeight: 490.3918

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC(=C(C=C1)NCCNC(=O)CCCC2=CC=C(S2)Br)[N+](=O)[O-]

Isomeric SMILES

CS(=O)(=O)C1=CC(=C(C=C1)NCCNC(=O)CCCC2=CC=C(S2)Br)[N+](=O)[O-]

InChI

InChI=1S/C17H20BrN3O5S2/c1-28(25,26)13-6-7-14(15(11-13)21(23)24)19-9-10-20-17(22)4-2-3-12-5-8-16(18)27-12/h5-8,11,19H,2-4,9-10H2,1H3,(H,20,22)