5-fluoranyl-N-[2-[(4-methylsulfonyl-2-nitro-phenyl)amino]ethyl]-1H-indole-2-carboxamide

Systemtic Name: 5-fluoranyl-N-[2-[(4-methylsulfonyl-2-nitro-phenyl)amino]ethyl]-1H-indole-2-carboxamide Openeye Name: 5-fluoro-N-[2-(4-methylsulfonyl-2-nitro-anilino)ethyl]-1H-indole-2-carboxamide CAS Name: 5-fluoro-N-[2-(4-methylsulfonyl-2-nitroanilino)ethyl]-1H-indole-2-carboxamide IUPAC Name: 5-fluoro-N-[2-(4-methylsulfonyl-2-nitroanilino)ethyl]-1H-indole-2-carboxamide Traditional Name: 5-fluoro-N-[2-(4-mesyl-2-nitro-anilino)ethyl]-1H-indole-2-carboxamide Formula: C18H17FN4O5S MolecularWeight: 420.414783

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC(=C(C=C1)NCCNC(=O)C2=CC3=C(N2)C=CC(=C3)F)[N+](=O)[O-]

Isomeric SMILES

CS(=O)(=O)C1=CC(=C(C=C1)NCCNC(=O)C2=CC3=C(N2)C=CC(=C3)F)[N+](=O)[O-]

InChI

InChI=1S/C18H17FN4O5S/c1-29(27,28)13-3-5-15(17(10-13)23(25)26)20-6-7-21-18(24)16-9-11-8-12(19)2-4-14(11)22-16/h2-5,8-10,20,22H,6-7H2,1H3,(H,21,24)