methyl (2S)-3-(1H-indol-3-yl)-2-[2-(4-piperidin-1-ylsulfonylphenyl)ethanoylamino]propanoate

Systemtic Name: methyl (2S)-3-(1H-indol-3-yl)-2-[2-(4-piperidin-1-ylsulfonylphenyl)ethanoylamino]propanoate Openeye Name: methyl (2S)-3-(1H-indol-3-yl)-2-[[2-[4-(1-piperidylsulfonyl)phenyl]acetyl]amino]propanoate CAS Name: (2S)-3-(1H-indol-3-yl)-2-[[1-oxo-2-[4-(1-piperidinylsulfonyl)phenyl]ethyl]amino]propanoic acid methyl ester IUPAC Name: methyl (2S)-3-(1H-indol-3-yl)-2-[[2-(4-piperidin-1-ylsulfonylphenyl)acetyl]amino]propanoate Traditional Name: (2S)-3-(1H-indol-3-yl)-2-[[2-(4-piperidinosulfonylphenyl)acetyl]amino]propionic acid methyl ester Formula: C25H29N3O5S MolecularWeight: 483.57986

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CC1=CNC2=CC=CC=C21)NC(=O)CC3=CC=C(C=C3)S(=O)(=O)N4CCCCC4

Isomeric SMILES

COC(=O)[C@H](CC1=CNC2=CC=CC=C21)NC(=O)CC3=CC=C(C=C3)S(=O)(=O)N4CCCCC4

InChI

InChI=1S/C25H29N3O5S/c1-33-25(30)23(16-19-17-26-22-8-4-3-7-21(19)22)27-24(29)15-18-9-11-20(12-10-18)34(31,32)28-13-5-2-6-14-28/h3-4,7-12,17,23,26H,2,5-6,13-16H2,1H3,(H,27,29)/t23-/m0/s1