2,10-dimethyl-1-oxidanylidene-4,5-dihydro-3H-azepino[3,4-b]indole-7-sulfonic acid

Systemtic Name: 2,10-dimethyl-1-oxidanylidene-4,5-dihydro-3H-azepino[3,4-b]indole-7-sulfonic acid Openeye Name: 2,10-dimethyl-1-oxo-4,5-dihydro-3H-azepino[3,4-b]indole-7-sulfonic acid CAS Name: 2,10-dimethyl-1-oxo-4,5-dihydro-3H-azepino[3,4-b]indole-7-sulfonic acid IUPAC Name: 2,10-dimethyl-1-oxo-4,5-dihydro-3H-azepino[3,4-b]indole-7-sulfonic acid Traditional Name: 1-keto-2,10-dimethyl-4,5-dihydro-3H-azepin[3,4-b]indole-7-sulfonic acid Formula: C14H16N2O4S MolecularWeight: 308.35284

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H16N2O4S/c1-15-7-3-4-10-11-8-9(21(18,19)20)5-6-12(11)16(2)13(10)14(15)17/h5-6,8H,3-4,7H2,1-2H3,(H,18,19,20)