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

Systemtic Name: 11-(2-hydroxyethyl)-2-methyl-1-oxidanylidene-3,4,5,6-tetrahydroazocino[3,4-b]indole-8-sulfonic acid Openeye Name: 11-(2-hydroxyethyl)-2-methyl-1-oxo-3,4,5,6-tetrahydroazocino[3,4-b]indole-8-sulfonic acid CAS Name: 11-(2-hydroxyethyl)-2-methyl-1-oxo-3,4,5,6-tetrahydroazocino[3,4-b]indole-8-sulfonic acid IUPAC Name: 11-(2-hydroxyethyl)-2-methyl-1-oxo-3,4,5,6-tetrahydroazocino[3,4-b]indole-8-sulfonic acid Traditional Name: 11-(2-hydroxyethyl)-1-keto-2-methyl-3,4,5,6-tetrahydroazocin[3,4-b]indole-8-sulfonic acid Formula: C16H20N2O5S MolecularWeight: 352.4054

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCCCC2=C(C1=O)N(C3=C2C=C(C=C3)S(=O)(=O)O)CCO

Isomeric SMILES

CN1CCCCC2=C(C1=O)N(C3=C2C=C(C=C3)S(=O)(=O)O)CCO

InChI

InChI=1S/C16H20N2O5S/c1-17-7-3-2-4-12-13-10-11(24(21,22)23)5-6-14(13)18(8-9-19)15(12)16(17)20/h5-6,10,19H,2-4,7-9H2,1H3,(H,21,22,23)