methyl (2S,3S)-2-(methoxycarbonylamino)-3-[5-(phenylsulfonyl)-1H-indol-3-yl]butanoate

Systemtic Name: methyl (2S,3S)-2-(methoxycarbonylamino)-3-[5-(phenylsulfonyl)-1H-indol-3-yl]butanoate Openeye Name: methyl (2S,3S)-3-[5-(benzenesulfonyl)-1H-indol-3-yl]-2-(methoxycarbonylamino)butanoate CAS Name: (2S,3S)-3-[5-(benzenesulfonyl)-1H-indol-3-yl]-2-(methoxycarbonylamino)butanoic acid methyl ester IUPAC Name: methyl (2S,3S)-3-[5-(benzenesulfonyl)-1H-indol-3-yl]-2-(methoxycarbonylamino)butanoate Traditional Name: (2S,3S)-3-(5-besyl-1H-indol-3-yl)-2-(carbomethoxyamino)butyric acid methyl ester Formula: C21H22N2O6S MolecularWeight: 430.47418

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CNC2=C1C=C(C=C2)S(=O)(=O)C3=CC=CC=C3)C(C(=O)OC)NC(=O)OC

Isomeric SMILES

C[C@@H](C1=CNC2=C1C=C(C=C2)S(=O)(=O)C3=CC=CC=C3)[C@@H](C(=O)OC)NC(=O)OC

InChI

InChI=1S/C21H22N2O6S/c1-13(19(20(24)28-2)23-21(25)29-3)17-12-22-18-10-9-15(11-16(17)18)30(26,27)14-7-5-4-6-8-14/h4-13,19,22H,1-3H3,(H,23,25)/t13-,19-/m0/s1