(2-oxidanylidene-2-piperidin-1-yl-ethyl) 3-(1H-indol-3-yl)-2-[(4-morpholin-4-ylsulfonyl-2-nitro-phenyl)amino]propanoate

Systemtic Name: (2-oxidanylidene-2-piperidin-1-yl-ethyl) 3-(1H-indol-3-yl)-2-[(4-morpholin-4-ylsulfonyl-2-nitro-phenyl)amino]propanoate Openeye Name: [2-oxo-2-(1-piperidyl)ethyl] 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 [2-oxo-2-(1-piperidinyl)ethyl] ester IUPAC Name: (2-oxo-2-piperidin-1-ylethyl) 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 (2-keto-2-piperidino-ethyl) ester Formula: C28H33N5O8S MolecularWeight: 599.65532

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C(=O)COC(=O)C(CC2=CNC3=CC=CC=C32)NC4=C(C=C(C=C4)S(=O)(=O)N5CCOCC5)[N+](=O)[O-]

Isomeric SMILES

C1CCN(CC1)C(=O)COC(=O)C(CC2=CNC3=CC=CC=C32)NC4=C(C=C(C=C4)S(=O)(=O)N5CCOCC5)[N+](=O)[O-]

InChI

InChI=1S/C28H33N5O8S/c34-27(31-10-4-1-5-11-31)19-41-28(35)25(16-20-18-29-23-7-3-2-6-22(20)23)30-24-9-8-21(17-26(24)33(36)37)42(38,39)32-12-14-40-15-13-32/h2-3,6-9,17-18,25,29-30H,1,4-5,10-16,19H2