1-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxidanylidene-ethyl]-N3,N4-dimethyl-pyrrole-3,4-disulfonamide

Systemtic Name: 1-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxidanylidene-ethyl]-N3,N4-dimethyl-pyrrole-3,4-disulfonamide Openeye Name: 1-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxo-ethyl]-N3,N4-dimethyl-pyrrole-3,4-disulfonamide CAS Name: 1-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-N3,N4-dimethylpyrrole-3,4-disulfonamide IUPAC Name: 1-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-3-N,4-N-dimethylpyrrole-3,4-disulfonamide Traditional Name: 1-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-keto-ethyl]-N,N'-dimethyl-pyrrole-3,4-disulfonamide Formula: C17H22N4O5S2 MolecularWeight: 426.51038

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Descriptors Computed from Structure

Canonical SMILES:

CNS(=O)(=O)C1=CN(C=C1S(=O)(=O)NC)CC(=O)N2CCC3=CC=CC=C3C2

Isomeric SMILES

CNS(=O)(=O)C1=CN(C=C1S(=O)(=O)NC)CC(=O)N2CCC3=CC=CC=C3C2

InChI

InChI=1S/C17H22N4O5S2/c1-18-27(23,24)15-10-20(11-16(15)28(25,26)19-2)12-17(22)21-8-7-13-5-3-4-6-14(13)9-21/h3-6,10-11,18-19H,7-9,12H2,1-2H3