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

Systemtic Name: methyl (2S,3R)-2-(methoxycarbonylamino)-3-[1-(phenylsulfonyl)indol-3-yl]butanoate Openeye Name: methyl (2S,3R)-3-[1-(benzenesulfonyl)indol-3-yl]-2-(methoxycarbonylamino)butanoate CAS Name: (2S,3R)-3-[1-(benzenesulfonyl)-3-indolyl]-2-(methoxycarbonylamino)butanoic acid methyl ester IUPAC Name: methyl (2S,3R)-3-[1-(benzenesulfonyl)indol-3-yl]-2-(methoxycarbonylamino)butanoate Traditional Name: (2S,3R)-3-(1-besylindol-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=CN(C2=CC=CC=C21)S(=O)(=O)C3=CC=CC=C3)C(C(=O)OC)NC(=O)OC

Isomeric SMILES

C[C@H](C1=CN(C2=CC=CC=C21)S(=O)(=O)C3=CC=CC=C3)[C@@H](C(=O)OC)NC(=O)OC

InChI

InChI=1S/C21H22N2O6S/c1-14(19(20(24)28-2)22-21(25)29-3)17-13-23(18-12-8-7-11-16(17)18)30(26,27)15-9-5-4-6-10-15/h4-14,19H,1-3H3,(H,22,25)/t14-,19+/m1/s1