3-[3-[(4-chlorophenyl)sulfonyl-ethyl-amino]-2-oxidanylidene-3H-indol-1-yl]propanoic acid

Systemtic Name: 3-[3-[(4-chlorophenyl)sulfonyl-ethyl-amino]-2-oxidanylidene-3H-indol-1-yl]propanoic acid Openeye Name: 3-[3-[(4-chlorophenyl)sulfonyl-ethyl-amino]-2-oxo-indolin-1-yl]propanoic acid CAS Name: 3-[3-[(4-chlorophenyl)sulfonyl-ethylamino]-2-oxo-3H-indol-1-yl]propanoic acid IUPAC Name: 3-[3-[(4-chlorophenyl)sulfonyl-ethylamino]-2-oxo-3H-indol-1-yl]propanoic acid Traditional Name: 3-[3-[(4-chlorophenyl)sulfonyl-ethyl-amino]-2-keto-indolin-1-yl]propionic acid Formula: C19H19ClN2O5S MolecularWeight: 422.88256

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Descriptors Computed from Structure

Canonical SMILES:

CCN(C1C2=CC=CC=C2N(C1=O)CCC(=O)O)S(=O)(=O)C3=CC=C(C=C3)Cl

Isomeric SMILES

CCN(C1C2=CC=CC=C2N(C1=O)CCC(=O)O)S(=O)(=O)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C19H19ClN2O5S/c1-2-22(28(26,27)14-9-7-13(20)8-10-14)18-15-5-3-4-6-16(15)21(19(18)25)12-11-17(23)24/h3-10,18H,2,11-12H2,1H3,(H,23,24)