2-[5-chloranyl-1-[(2-methylpropan-2-yl)oxycarbonyl]indol-2-yl]sulfonylpropanoic acid

Systemtic Name: 2-[5-chloranyl-1-[(2-methylpropan-2-yl)oxycarbonyl]indol-2-yl]sulfonylpropanoic acid Openeye Name: 2-(1-tert-butoxycarbonyl-5-chloro-indol-2-yl)sulfonylpropanoic acid CAS Name: 2-[[5-chloro-1-[(2-methylpropan-2-yl)oxy-oxomethyl]-2-indolyl]sulfonyl]propanoic acid IUPAC Name: 2-[5-chloro-1-[(2-methylpropan-2-yl)oxycarbonyl]indol-2-yl]sulfonylpropanoic acid Traditional Name: 2-(1-tert-butoxycarbonyl-5-chloro-indol-2-yl)sulfonylpropionic acid Formula: C16H18ClNO6S MolecularWeight: 387.83522

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)O)S(=O)(=O)C1=CC2=C(N1C(=O)OC(C)(C)C)C=CC(=C2)Cl

Isomeric SMILES

CC(C(=O)O)S(=O)(=O)C1=CC2=C(N1C(=O)OC(C)(C)C)C=CC(=C2)Cl

InChI

InChI=1S/C16H18ClNO6S/c1-9(14(19)20)25(22,23)13-8-10-7-11(17)5-6-12(10)18(13)15(21)24-16(2,3)4/h5-9H,1-4H3,(H,19,20)