(4-fluorophenyl)methyl 3-(1H-indol-3-yl)-2-[(4-morpholin-4-ylsulfonyl-2-nitro-phenyl)amino]propanoate

Systemtic Name: (4-fluorophenyl)methyl 3-(1H-indol-3-yl)-2-[(4-morpholin-4-ylsulfonyl-2-nitro-phenyl)amino]propanoate Openeye Name: (4-fluorophenyl)methyl 3-(1H-indol-3-yl)-2-(4-morpholinosulfonyl-2-nitro-anilino)propanoate CAS Name: 3-(1H-indol-3-yl)-2-[4-(4-morpholinylsulfonyl)-2-nitroanilino]propanoic acid (4-fluorophenyl)methyl ester IUPAC Name: (4-fluorophenyl)methyl 3-(1H-indol-3-yl)-2-(4-morpholin-4-ylsulfonyl-2-nitroanilino)propanoate Traditional Name: 3-(1H-indol-3-yl)-2-(4-morpholinosulfonyl-2-nitro-anilino)propionic acid (4-fluorobenzyl) ester Formula: C28H27FN4O7S MolecularWeight: 582.599983

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1S(=O)(=O)C2=CC(=C(C=C2)NC(CC3=CNC4=CC=CC=C43)C(=O)OCC5=CC=C(C=C5)F)[N+](=O)[O-]

Isomeric SMILES

C1COCCN1S(=O)(=O)C2=CC(=C(C=C2)NC(CC3=CNC4=CC=CC=C43)C(=O)OCC5=CC=C(C=C5)F)[N+](=O)[O-]

InChI

InChI=1S/C28H27FN4O7S/c29-21-7-5-19(6-8-21)18-40-28(34)26(15-20-17-30-24-4-2-1-3-23(20)24)31-25-10-9-22(16-27(25)33(35)36)41(37,38)32-11-13-39-14-12-32/h1-10,16-17,26,30-31H,11-15,18H2