4-[2-[1-[2-(diethylamino)-2-oxidanylidene-ethyl]indol-3-yl]sulfonylethanoylamino]benzoic acid

Systemtic Name: 4-[2-[1-[2-(diethylamino)-2-oxidanylidene-ethyl]indol-3-yl]sulfonylethanoylamino]benzoic acid Openeye Name: 4-[[2-[1-[2-(diethylamino)-2-oxo-ethyl]indol-3-yl]sulfonylacetyl]amino]benzoic acid CAS Name: 4-[[2-[[1-[2-(diethylamino)-2-oxoethyl]-3-indolyl]sulfonyl]-1-oxoethyl]amino]benzoic acid IUPAC Name: 4-[[2-[1-[2-(diethylamino)-2-oxoethyl]indol-3-yl]sulfonylacetyl]amino]benzoic acid Traditional Name: 4-[[2-[1-[2-(diethylamino)-2-keto-ethyl]indol-3-yl]sulfonylacetyl]amino]benzoic acid Formula: C23H25N3O6S MolecularWeight: 471.5261

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(=O)CN1C=C(C2=CC=CC=C21)S(=O)(=O)CC(=O)NC3=CC=C(C=C3)C(=O)O

Isomeric SMILES

CCN(CC)C(=O)CN1C=C(C2=CC=CC=C21)S(=O)(=O)CC(=O)NC3=CC=C(C=C3)C(=O)O

InChI

InChI=1S/C23H25N3O6S/c1-3-25(4-2)22(28)14-26-13-20(18-7-5-6-8-19(18)26)33(31,32)15-21(27)24-17-11-9-16(10-12-17)23(29)30/h5-13H,3-4,14-15H2,1-2H3,(H,24,27)(H,29,30)