2-methyl-1-oxidanylidene-11-phenethyl-3,4,5,6-tetrahydroazocino[3,4-b]indole-8-sulfonic acid

Systemtic Name: 2-methyl-1-oxidanylidene-11-phenethyl-3,4,5,6-tetrahydroazocino[3,4-b]indole-8-sulfonic acid Openeye Name: 2-methyl-1-oxo-11-phenethyl-3,4,5,6-tetrahydroazocino[3,4-b]indole-8-sulfonic acid CAS Name: 2-methyl-1-oxo-11-phenethyl-3,4,5,6-tetrahydroazocino[3,4-b]indole-8-sulfonic acid IUPAC Name: 2-methyl-1-oxo-11-phenethyl-3,4,5,6-tetrahydroazocino[3,4-b]indole-8-sulfonic acid Traditional Name: 1-keto-2-methyl-11-phenethyl-3,4,5,6-tetrahydroazocin[3,4-b]indole-8-sulfonic acid Formula: C22H24N2O4S MolecularWeight: 412.50196

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCCCC2=C(C1=O)N(C3=C2C=C(C=C3)S(=O)(=O)O)CCC4=CC=CC=C4

Isomeric SMILES

CN1CCCCC2=C(C1=O)N(C3=C2C=C(C=C3)S(=O)(=O)O)CCC4=CC=CC=C4

InChI

InChI=1S/C22H24N2O4S/c1-23-13-6-5-9-18-19-15-17(29(26,27)28)10-11-20(19)24(21(18)22(23)25)14-12-16-7-3-2-4-8-16/h2-4,7-8,10-11,15H,5-6,9,12-14H2,1H3,(H,26,27,28)