2-methyl-1-oxidanylidene-3,4,5,10-tetrahydroazepino[3,4-b]indole-7-sulfonic acid

Systemtic Name: 2-methyl-1-oxidanylidene-3,4,5,10-tetrahydroazepino[3,4-b]indole-7-sulfonic acid Openeye Name: 2-methyl-1-oxo-3,4,5,10-tetrahydroazepino[3,4-b]indole-7-sulfonic acid CAS Name: 2-methyl-1-oxo-3,4,5,10-tetrahydroazepino[3,4-b]indole-7-sulfonic acid IUPAC Name: 2-methyl-1-oxo-3,4,5,10-tetrahydroazepino[3,4-b]indole-7-sulfonic acid Traditional Name: 1-keto-2-methyl-3,4,5,10-tetrahydroazepin[3,4-b]indole-7-sulfonic acid Formula: C13H14N2O4S MolecularWeight: 294.32626

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCCC2=C(C1=O)NC3=C2C=C(C=C3)S(=O)(=O)O

Isomeric SMILES

CN1CCCC2=C(C1=O)NC3=C2C=C(C=C3)S(=O)(=O)O

InChI

InChI=1S/C13H14N2O4S/c1-15-6-2-3-9-10-7-8(20(17,18)19)4-5-11(10)14-12(9)13(15)16/h4-5,7,14H,2-3,6H2,1H3,(H,17,18,19)