10-(2-hydroxyethyl)-2-methyl-1-oxidanylidene-4,5-dihydro-3H-azepino[3,4-b]indole-7-sulfonic acid

Systemtic Name: 10-(2-hydroxyethyl)-2-methyl-1-oxidanylidene-4,5-dihydro-3H-azepino[3,4-b]indole-7-sulfonic acid Openeye Name: 10-(2-hydroxyethyl)-2-methyl-1-oxo-4,5-dihydro-3H-azepino[3,4-b]indole-7-sulfonic acid CAS Name: 10-(2-hydroxyethyl)-2-methyl-1-oxo-4,5-dihydro-3H-azepino[3,4-b]indole-7-sulfonic acid IUPAC Name: 10-(2-hydroxyethyl)-2-methyl-1-oxo-4,5-dihydro-3H-azepino[3,4-b]indole-7-sulfonic acid Traditional Name: 10-(2-hydroxyethyl)-1-keto-2-methyl-4,5-dihydro-3H-azepin[3,4-b]indole-7-sulfonic acid Formula: C15H18N2O5S MolecularWeight: 338.37882

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCCC2=C(C1=O)N(C3=C2C=C(C=C3)S(=O)(=O)O)CCO

Isomeric SMILES

CN1CCCC2=C(C1=O)N(C3=C2C=C(C=C3)S(=O)(=O)O)CCO

InChI

InChI=1S/C15H18N2O5S/c1-16-6-2-3-11-12-9-10(23(20,21)22)4-5-13(12)17(7-8-18)14(11)15(16)19/h4-5,9,18H,2-3,6-8H2,1H3,(H,20,21,22)