N-[2-(4-methylpiperazin-4-ium-1-yl)phenyl]-4-pyrrolidin-1-ylsulfonyl-benzenesulfonamide

Systemtic Name: N-[2-(4-methylpiperazin-4-ium-1-yl)phenyl]-4-pyrrolidin-1-ylsulfonyl-benzenesulfonamide Openeye Name: N-[2-(4-methylpiperazin-4-ium-1-yl)phenyl]-4-pyrrolidin-1-ylsulfonyl-benzenesulfonamide CAS Name: N-[2-(4-methyl-1-piperazin-4-iumyl)phenyl]-4-(1-pyrrolidinylsulfonyl)benzenesulfonamide IUPAC Name: N-[2-(4-methylpiperazin-4-ium-1-yl)phenyl]-4-pyrrolidin-1-ylsulfonylbenzenesulfonamide Traditional Name: N-[2-(4-methylpiperazin-4-ium-1-yl)phenyl]-4-pyrrolidinosulfonyl-benzenesulfonamide Formula: C21H29N4O4S2+ MolecularWeight: 465.60936

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C2=CC=CC=C2NS(=O)(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCCC4

Isomeric SMILES

C[NH+]1CCN(CC1)C2=CC=CC=C2NS(=O)(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCCC4

InChI

InChI=1S/C21H28N4O4S2/c1-23-14-16-24(17-15-23)21-7-3-2-6-20(21)22-30(26,27)18-8-10-19(11-9-18)31(28,29)25-12-4-5-13-25/h2-3,6-11,22H,4-5,12-17H2,1H3/p+1