N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-methyl-N-[2-(4-phenylpiperazin-1-ium-1-yl)ethyl]benzenesulfonamide

Systemtic Name: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-methyl-N-[2-(4-phenylpiperazin-1-ium-1-yl)ethyl]benzenesulfonamide Openeye Name: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-methyl-N-[2-(4-phenylpiperazin-1-ium-1-yl)ethyl]benzenesulfonamide CAS Name: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-methyl-N-[2-(4-phenyl-1-piperazin-1-iumyl)ethyl]benzenesulfonamide IUPAC Name: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-methyl-N-[2-(4-phenylpiperazin-1-ium-1-yl)ethyl]benzenesulfonamide Traditional Name: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-methyl-N-[2-(4-phenylpiperazin-1-ium-1-yl)ethyl]benzenesulfonamide Formula: C27H32N3O4S+ MolecularWeight: 494.62568

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N(CC[NH+]2CCN(CC2)C3=CC=CC=C3)C4=CC5=C(C=C4)OCCO5

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N(CC[NH+]2CCN(CC2)C3=CC=CC=C3)C4=CC5=C(C=C4)OCCO5

InChI

InChI=1S/C27H31N3O4S/c1-22-7-10-25(11-8-22)35(31,32)30(24-9-12-26-27(21-24)34-20-19-33-26)18-15-28-13-16-29(17-14-28)23-5-3-2-4-6-23/h2-12,21H,13-20H2,1H3/p+1