methyl (2S)-3-(1H-indol-3-yl)-2-[(4-methylphenyl)sulfonyl-(1-phenylmethoxyprop-2-enyl)amino]propanoate

Systemtic Name: methyl (2S)-3-(1H-indol-3-yl)-2-[(4-methylphenyl)sulfonyl-(1-phenylmethoxyprop-2-enyl)amino]propanoate Openeye Name: methyl (2S)-2-[1-benzyloxyallyl(p-tolylsulfonyl)amino]-3-(1H-indol-3-yl)propanoate CAS Name: (2S)-3-(1H-indol-3-yl)-2-[(4-methylphenyl)sulfonyl-(1-phenylmethoxyprop-2-enyl)amino]propanoic acid methyl ester IUPAC Name: methyl (2S)-3-(1H-indol-3-yl)-2-[(4-methylphenyl)sulfonyl-(1-phenylmethoxyprop-2-enyl)amino]propanoate Traditional Name: (2S)-2-[1-benzoxyallyl(tosyl)amino]-3-(1H-indol-3-yl)propionic acid methyl ester Formula: C29H30N2O5S MolecularWeight: 518.6239

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N(C(CC2=CNC3=CC=CC=C32)C(=O)OC)C(C=C)OCC4=CC=CC=C4

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N([C@@H](CC2=CNC3=CC=CC=C32)C(=O)OC)C(C=C)OCC4=CC=CC=C4

InChI

InChI=1S/C29H30N2O5S/c1-4-28(36-20-22-10-6-5-7-11-22)31(37(33,34)24-16-14-21(2)15-17-24)27(29(32)35-3)18-23-19-30-26-13-9-8-12-25(23)26/h4-17,19,27-28,30H,1,18,20H2,2-3H3/t27-,28?/m0/s1