2-isoquinolin-2-ium-2-yl-N-[4-[4-(2-isoquinolin-2-ium-2-ylethanoylamino)butylsulfonylsulfamoyl]butyl]ethanamide

Systemtic Name: 2-isoquinolin-2-ium-2-yl-N-[4-[4-(2-isoquinolin-2-ium-2-ylethanoylamino)butylsulfonylsulfamoyl]butyl]ethanamide Openeye Name: 2-isoquinolin-2-ium-2-yl-N-[4-[4-[(2-isoquinolin-2-ium-2-ylacetyl)amino]butylsulfonylsulfamoyl]butyl]acetamide CAS Name: 2-(2-isoquinolin-2-iumyl)-N-[4-[4-[[2-(2-isoquinolin-2-iumyl)-1-oxoethyl]amino]butylsulfonylsulfamoyl]butyl]acetamide IUPAC Name: 2-isoquinolin-2-ium-2-yl-N-[4-[4-[(2-isoquinolin-2-ium-2-ylacetyl)amino]butylsulfonylsulfamoyl]butyl]acetamide Traditional Name: 2-isoquinolin-2-ium-2-yl-N-[4-[4-[(2-isoquinolin-2-ium-2-ylacetyl)amino]butylsulfonylsulfamoyl]butyl]acetamide Formula: C30H37N5O6S2+2 MolecularWeight: 627.77468

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C=[N+](C=CC2=C1)CC(=O)NCCCCS(=O)(=O)NS(=O)(=O)CCCCNC(=O)C[N+]3=CC4=CC=CC=C4C=C3

Isomeric SMILES

C1=CC=C2C=[N+](C=CC2=C1)CC(=O)NCCCCS(=O)(=O)NS(=O)(=O)CCCCNC(=O)C[N+]3=CC4=CC=CC=C4C=C3

InChI

InChI=1S/C30H35N5O6S2/c36-29(23-34-17-13-25-9-1-3-11-27(25)21-34)31-15-5-7-19-42(38,39)33-43(40,41)20-8-6-16-32-30(37)24-35-18-14-26-10-2-4-12-28(26)22-35/h1-4,9-14,17-18,21-22,33H,5-8,15-16,19-20,23-24H2/p+2