2-methyl-1-oxidanylidene-4,5,6,11-tetrahydro-3H-azocino[3,4-b]indole-8-sulfonic acid

Systemtic Name: 2-methyl-1-oxidanylidene-4,5,6,11-tetrahydro-3H-azocino[3,4-b]indole-8-sulfonic acid Openeye Name: 2-methyl-1-oxo-4,5,6,11-tetrahydro-3H-azocino[3,4-b]indole-8-sulfonic acid CAS Name: 2-methyl-1-oxo-4,5,6,11-tetrahydro-3H-azocino[3,4-b]indole-8-sulfonic acid IUPAC Name: 2-methyl-1-oxo-4,5,6,11-tetrahydro-3H-azocino[3,4-b]indole-8-sulfonic acid Traditional Name: 1-keto-2-methyl-4,5,6,11-tetrahydro-3H-azocin[3,4-b]indole-8-sulfonic acid Formula: C14H16N2O4S MolecularWeight: 308.35284

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCCCC2=C(C1=O)NC3=C2C=C(C=C3)S(=O)(=O)O

Isomeric SMILES

CN1CCCCC2=C(C1=O)NC3=C2C=C(C=C3)S(=O)(=O)O

InChI

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