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

Systemtic Name: methyl (2S)-2-(methoxycarbonylamino)-2-methyl-3-[1-(phenylsulfonyl)indol-3-yl]propanoate Openeye Name: methyl (2S)-3-[1-(benzenesulfonyl)indol-3-yl]-2-(methoxycarbonylamino)-2-methyl-propanoate CAS Name: (2S)-3-[1-(benzenesulfonyl)-3-indolyl]-2-(methoxycarbonylamino)-2-methylpropanoic acid methyl ester IUPAC Name: methyl (2S)-3-[1-(benzenesulfonyl)indol-3-yl]-2-(methoxycarbonylamino)-2-methylpropanoate Traditional Name: (2S)-3-(1-besylindol-3-yl)-2-(carbomethoxyamino)-2-methyl-propionic acid methyl ester Formula: C21H22N2O6S MolecularWeight: 432.466722

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

COC(=O)[C@]([14CH3])(CC1=CN(C2=CC=CC=C21)S(=O)(=O)C3=CC=CC=C3)NC(=O)OC

InChI

InChI=1S/C21H22N2O6S/c1-21(19(24)28-2,22-20(25)29-3)13-15-14-23(18-12-8-7-11-17(15)18)30(26,27)16-9-5-4-6-10-16/h4-12,14H,13H2,1-3H3,(H,22,25)/t21-/m0/s1/i1+2