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

Systemtic Name: methyl (2S)-2-(methoxycarbonylamino)-2-[[1-(phenylsulfonyl)indol-3-yl]methyl]butanoate Openeye Name: methyl (2S)-2-[[1-(benzenesulfonyl)indol-3-yl]methyl]-2-(methoxycarbonylamino)butanoate CAS Name: (2S)-2-[[1-(benzenesulfonyl)-3-indolyl]methyl]-2-(methoxycarbonylamino)butanoic acid methyl ester IUPAC Name: methyl (2S)-2-[[1-(benzenesulfonyl)indol-3-yl]methyl]-2-(methoxycarbonylamino)butanoate Traditional Name: (2S)-2-[(1-besylindol-3-yl)methyl]-2-(carbomethoxyamino)butyric acid methyl ester Formula: C22H24N2O6S MolecularWeight: 444.50076

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H24N2O6S/c1-4-22(20(25)29-2,23-21(26)30-3)14-16-15-24(19-13-9-8-12-18(16)19)31(27,28)17-10-6-5-7-11-17/h5-13,15H,4,14H2,1-3H3,(H,23,26)/t22-/m0/s1