1-(4-fluorophenyl)-N-[2-[(4-methylsulfonyl-2-nitro-phenyl)amino]ethyl]cyclobutane-1-carboxamide

Systemtic Name: 1-(4-fluorophenyl)-N-[2-[(4-methylsulfonyl-2-nitro-phenyl)amino]ethyl]cyclobutane-1-carboxamide Openeye Name: 1-(4-fluorophenyl)-N-[2-(4-methylsulfonyl-2-nitro-anilino)ethyl]cyclobutanecarboxamide CAS Name: 1-(4-fluorophenyl)-N-[2-(4-methylsulfonyl-2-nitroanilino)ethyl]-1-cyclobutanecarboxamide IUPAC Name: 1-(4-fluorophenyl)-N-[2-(4-methylsulfonyl-2-nitroanilino)ethyl]cyclobutane-1-carboxamide Traditional Name: 1-(4-fluorophenyl)-N-[2-(4-mesyl-2-nitro-anilino)ethyl]cyclobutanecarboxamide Formula: C20H22FN3O5S MolecularWeight: 435.469183

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC(=C(C=C1)NCCNC(=O)C2(CCC2)C3=CC=C(C=C3)F)[N+](=O)[O-]

Isomeric SMILES

CS(=O)(=O)C1=CC(=C(C=C1)NCCNC(=O)C2(CCC2)C3=CC=C(C=C3)F)[N+](=O)[O-]

InChI

InChI=1S/C20H22FN3O5S/c1-30(28,29)16-7-8-17(18(13-16)24(26)27)22-11-12-23-19(25)20(9-2-10-20)14-3-5-15(21)6-4-14/h3-8,13,22H,2,9-12H2,1H3,(H,23,25)