2-butyl-9-ethyl-1-oxidanylidene-3,4-dihydropyrido[3,4-b]indole-6-sulfonic acid

Systemtic Name: 2-butyl-9-ethyl-1-oxidanylidene-3,4-dihydropyrido[3,4-b]indole-6-sulfonic acid Openeye Name: 2-butyl-9-ethyl-1-oxo-3,4-dihydropyrido[3,4-b]indole-6-sulfonic acid CAS Name: 2-butyl-9-ethyl-1-oxo-3,4-dihydropyrido[3,4-b]indole-6-sulfonic acid IUPAC Name: 2-butyl-9-ethyl-1-oxo-3,4-dihydropyrido[3,4-b]indole-6-sulfonic acid Traditional Name: 2-butyl-9-ethyl-1-keto-3,4-dihydro-$b-carboline-6-sulfonic acid Formula: C17H22N2O4S MolecularWeight: 350.43258

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1CCC2=C(C1=O)N(C3=C2C=C(C=C3)S(=O)(=O)O)CC

Isomeric SMILES

CCCCN1CCC2=C(C1=O)N(C3=C2C=C(C=C3)S(=O)(=O)O)CC

InChI

InChI=1S/C17H22N2O4S/c1-3-5-9-18-10-8-13-14-11-12(24(21,22)23)6-7-15(14)19(4-2)16(13)17(18)20/h6-7,11H,3-5,8-10H2,1-2H3,(H,21,22,23)