methyl (2S)-2-(methoxycarbonylamino)-3-[1-(phenylsulfonyl)indol-3-yl]propanoate

Systemtic Name: methyl (2S)-2-(methoxycarbonylamino)-3-[1-(phenylsulfonyl)indol-3-yl]propanoate Openeye Name: methyl (2S)-3-[1-(benzenesulfonyl)indol-3-yl]-2-(methoxycarbonylamino)propanoate CAS Name: (2S)-3-[1-(benzenesulfonyl)-3-indolyl]-2-(methoxycarbonylamino)propanoic acid methyl ester IUPAC Name: methyl (2S)-3-[1-(benzenesulfonyl)indol-3-yl]-2-(methoxycarbonylamino)propanoate Traditional Name: (2S)-3-(1-besylindol-3-yl)-2-(carbomethoxyamino)propionic acid methyl ester Formula: C20H20N2O6S MolecularWeight: 416.4476

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CC1=CN(C2=CC=CC=C21)S(=O)(=O)C3=CC=CC=C3)NC(=O)OC

Isomeric SMILES

COC(=O)[C@H](CC1=CN(C2=CC=CC=C21)S(=O)(=O)C3=CC=CC=C3)NC(=O)OC

InChI

InChI=1S/C20H20N2O6S/c1-27-19(23)17(21-20(24)28-2)12-14-13-22(18-11-7-6-10-16(14)18)29(25,26)15-8-4-3-5-9-15/h3-11,13,17H,12H2,1-2H3,(H,21,24)/t17-/m0/s1