3-[5-chloranyl-1-[(2-methylpropan-2-yl)oxycarbonyl]indol-2-yl]sulfonylpropanoic acid

Systemtic Name: 3-[5-chloranyl-1-[(2-methylpropan-2-yl)oxycarbonyl]indol-2-yl]sulfonylpropanoic acid Openeye Name: 3-(1-tert-butoxycarbonyl-5-chloro-indol-2-yl)sulfonylpropanoic acid CAS Name: 3-[[5-chloro-1-[(2-methylpropan-2-yl)oxy-oxomethyl]-2-indolyl]sulfonyl]propanoic acid IUPAC Name: 3-[5-chloro-1-[(2-methylpropan-2-yl)oxycarbonyl]indol-2-yl]sulfonylpropanoic acid Traditional Name: 3-(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)(C)OC(=O)N1C2=C(C=C(C=C2)Cl)C=C1S(=O)(=O)CCC(=O)O

Isomeric SMILES

CC(C)(C)OC(=O)N1C2=C(C=C(C=C2)Cl)C=C1S(=O)(=O)CCC(=O)O

InChI

InChI=1S/C16H18ClNO6S/c1-16(2,3)24-15(21)18-12-5-4-11(17)8-10(12)9-13(18)25(22,23)7-6-14(19)20/h4-5,8-9H,6-7H2,1-3H3,(H,19,20)