methyl (2R)-2-[3-(4-chlorophenyl)sulfonylpropanoylamino]-3-(1H-indol-3-yl)propanoate

Systemtic Name: methyl (2R)-2-[3-(4-chlorophenyl)sulfonylpropanoylamino]-3-(1H-indol-3-yl)propanoate Openeye Name: methyl (2R)-2-[3-(4-chlorophenyl)sulfonylpropanoylamino]-3-(1H-indol-3-yl)propanoate CAS Name: (2R)-2-[[3-(4-chlorophenyl)sulfonyl-1-oxopropyl]amino]-3-(1H-indol-3-yl)propanoic acid methyl ester IUPAC Name: methyl (2R)-2-[3-(4-chlorophenyl)sulfonylpropanoylamino]-3-(1H-indol-3-yl)propanoate Traditional Name: (2R)-2-[3-(4-chlorophenyl)sulfonylpropanoylamino]-3-(1H-indol-3-yl)propionic acid methyl ester Formula: C21H21ClN2O5S MolecularWeight: 448.91984

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CC1=CNC2=CC=CC=C21)NC(=O)CCS(=O)(=O)C3=CC=C(C=C3)Cl

Isomeric SMILES

COC(=O)[C@@H](CC1=CNC2=CC=CC=C21)NC(=O)CCS(=O)(=O)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C21H21ClN2O5S/c1-29-21(26)19(12-14-13-23-18-5-3-2-4-17(14)18)24-20(25)10-11-30(27,28)16-8-6-15(22)7-9-16/h2-9,13,19,23H,10-12H2,1H3,(H,24,25)/t19-/m1/s1