2-methyl-1-oxidanylidene-9-phenethyl-3,4-dihydropyrido[3,4-b]indole-6-sulfonic acid

Systemtic Name: 2-methyl-1-oxidanylidene-9-phenethyl-3,4-dihydropyrido[3,4-b]indole-6-sulfonic acid Openeye Name: 2-methyl-1-oxo-9-phenethyl-3,4-dihydropyrido[3,4-b]indole-6-sulfonic acid CAS Name: 2-methyl-1-oxo-9-phenethyl-3,4-dihydropyrido[3,4-b]indole-6-sulfonic acid IUPAC Name: 2-methyl-1-oxo-9-phenethyl-3,4-dihydropyrido[3,4-b]indole-6-sulfonic acid Traditional Name: 1-keto-2-methyl-9-phenethyl-3,4-dihydro-$b-carboline-6-sulfonic acid Formula: C20H20N2O4S MolecularWeight: 384.4488

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCC2=C(C1=O)N(C3=C2C=C(C=C3)S(=O)(=O)O)CCC4=CC=CC=C4

Isomeric SMILES

CN1CCC2=C(C1=O)N(C3=C2C=C(C=C3)S(=O)(=O)O)CCC4=CC=CC=C4

InChI

InChI=1S/C20H20N2O4S/c1-21-11-10-16-17-13-15(27(24,25)26)7-8-18(17)22(19(16)20(21)23)12-9-14-5-3-2-4-6-14/h2-8,13H,9-12H2,1H3,(H,24,25,26)