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

Systemtic Name: 11-ethyl-2-methyl-1-oxidanylidene-3,4,5,6-tetrahydroazocino[3,4-b]indole-8-sulfonic acid Openeye Name: 11-ethyl-2-methyl-1-oxo-3,4,5,6-tetrahydroazocino[3,4-b]indole-8-sulfonic acid CAS Name: 11-ethyl-2-methyl-1-oxo-3,4,5,6-tetrahydroazocino[3,4-b]indole-8-sulfonic acid IUPAC Name: 11-ethyl-2-methyl-1-oxo-3,4,5,6-tetrahydroazocino[3,4-b]indole-8-sulfonic acid Traditional Name: 11-ethyl-1-keto-2-methyl-3,4,5,6-tetrahydroazocin[3,4-b]indole-8-sulfonic acid Formula: C16H20N2O4S MolecularWeight: 336.406

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=C(C=C2)S(=O)(=O)O)C3=C1C(=O)N(CCCC3)C

Isomeric SMILES

CCN1C2=C(C=C(C=C2)S(=O)(=O)O)C3=C1C(=O)N(CCCC3)C

InChI

InChI=1S/C16H20N2O4S/c1-3-18-14-8-7-11(23(20,21)22)10-13(14)12-6-4-5-9-17(2)16(19)15(12)18/h7-8,10H,3-6,9H2,1-2H3,(H,20,21,22)