N-[4-[4-(thiophen-2-ylmethyl)piperazin-4-ium-1-yl]carbonylphenyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide

Systemtic Name: N-[4-[4-(thiophen-2-ylmethyl)piperazin-4-ium-1-yl]carbonylphenyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide Openeye Name: N-[4-[4-(2-thienylmethyl)piperazin-4-ium-1-carbonyl]phenyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide CAS Name: N-[4-[oxo-[4-(thiophen-2-ylmethyl)-1-piperazin-4-iumyl]methyl]phenyl]-2,3-dihydro-1,4-benzodioxin-6-sulfonamide IUPAC Name: N-[4-[4-(thiophen-2-ylmethyl)piperazin-4-ium-1-carbonyl]phenyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide Traditional Name: N-[4-[4-(2-thenyl)piperazin-4-ium-1-carbonyl]phenyl]-2,3-dihydro-1,4-benzodioxin-6-sulfonamide Formula: C24H26N3O5S2+ MolecularWeight: 500.61034

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=CS2)C(=O)C3=CC=C(C=C3)NS(=O)(=O)C4=CC5=C(C=C4)OCCO5

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=CS2)C(=O)C3=CC=C(C=C3)NS(=O)(=O)C4=CC5=C(C=C4)OCCO5

InChI

InChI=1S/C24H25N3O5S2/c28-24(27-11-9-26(10-12-27)17-20-2-1-15-33-20)18-3-5-19(6-4-18)25-34(29,30)21-7-8-22-23(16-21)32-14-13-31-22/h1-8,15-16,25H,9-14,17H2/p+1