9-(2-methoxy-2-oxidanylidene-ethyl)-1-oxidanylidene-2-phenyl-3,4-dihydropyrido[3,4-b]indole-6-sulfonic acid

Systemtic Name: 9-(2-methoxy-2-oxidanylidene-ethyl)-1-oxidanylidene-2-phenyl-3,4-dihydropyrido[3,4-b]indole-6-sulfonic acid Openeye Name: 9-(2-methoxy-2-oxo-ethyl)-1-oxo-2-phenyl-3,4-dihydropyrido[3,4-b]indole-6-sulfonic acid CAS Name: 9-(2-methoxy-2-oxoethyl)-1-oxo-2-phenyl-3,4-dihydropyrido[3,4-b]indole-6-sulfonic acid IUPAC Name: 9-(2-methoxy-2-oxoethyl)-1-oxo-2-phenyl-3,4-dihydropyrido[3,4-b]indole-6-sulfonic acid Traditional Name: 1-keto-9-(2-keto-2-methoxy-ethyl)-2-phenyl-3,4-dihydro-$b-carboline-6-sulfonic acid Formula: C20H18N2O6S MolecularWeight: 414.43172

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CN1C2=C(C=C(C=C2)S(=O)(=O)O)C3=C1C(=O)N(CC3)C4=CC=CC=C4

Isomeric SMILES

COC(=O)CN1C2=C(C=C(C=C2)S(=O)(=O)O)C3=C1C(=O)N(CC3)C4=CC=CC=C4

InChI

InChI=1S/C20H18N2O6S/c1-28-18(23)12-22-17-8-7-14(29(25,26)27)11-16(17)15-9-10-21(20(24)19(15)22)13-5-3-2-4-6-13/h2-8,11H,9-10,12H2,1H3,(H,25,26,27)