ethyl (2S)-3-(1H-indol-3-yl)-2-(pyren-1-ylsulfonylamino)propanoate

Systemtic Name: ethyl (2S)-3-(1H-indol-3-yl)-2-(pyren-1-ylsulfonylamino)propanoate Openeye Name: ethyl (2S)-3-(1H-indol-3-yl)-2-(pyren-1-ylsulfonylamino)propanoate CAS Name: (2S)-3-(1H-indol-3-yl)-2-(1-pyrenylsulfonylamino)propanoic acid ethyl ester IUPAC Name: ethyl (2S)-3-(1H-indol-3-yl)-2-(pyren-1-ylsulfonylamino)propanoate Traditional Name: (2S)-3-(1H-indol-3-yl)-2-(pyren-1-ylsulfonylamino)propionic acid ethyl ester Formula: C29H24N2O4S MolecularWeight: 496.57686

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CC1=CNC2=CC=CC=C21)NS(=O)(=O)C3=C4C=CC5=CC=CC6=C5C4=C(C=C6)C=C3

Isomeric SMILES

CCOC(=O)[C@H](CC1=CNC2=CC=CC=C21)NS(=O)(=O)C3=C4C=CC5=CC=CC6=C5C4=C(C=C6)C=C3

InChI

InChI=1S/C29H24N2O4S/c1-2-35-29(32)25(16-21-17-30-24-9-4-3-8-22(21)24)31-36(33,34)26-15-13-20-11-10-18-6-5-7-19-12-14-23(26)28(20)27(18)19/h3-15,17,25,30-31H,2,16H2,1H3/t25-/m0/s1