N-[(2S)-2-(1,3-benzodioxol-5-yl)-2-(4-methylpiperazine-1,4-diium-1-yl)ethyl]-4-methyl-benzenesulfonamide

Systemtic Name: N-[(2S)-2-(1,3-benzodioxol-5-yl)-2-(4-methylpiperazine-1,4-diium-1-yl)ethyl]-4-methyl-benzenesulfonamide Openeye Name: N-[(2S)-2-(1,3-benzodioxol-5-yl)-2-(4-methylpiperazine-1,4-diium-1-yl)ethyl]-4-methyl-benzenesulfonamide CAS Name: N-[(2S)-2-(1,3-benzodioxol-5-yl)-2-(4-methyl-1-piperazine-1,4-diiumyl)ethyl]-4-methylbenzenesulfonamide IUPAC Name: N-[(2S)-2-(1,3-benzodioxol-5-yl)-2-(4-methylpiperazine-1,4-diium-1-yl)ethyl]-4-methylbenzenesulfonamide Traditional Name: N-[(2S)-2-(1,3-benzodioxol-5-yl)-2-(4-methylpiperazine-1,4-diium-1-yl)ethyl]-4-methyl-benzenesulfonamide Formula: C21H29N3O4S+2 MolecularWeight: 419.53766

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NCC(C2=CC3=C(C=C2)OCO3)[NH+]4CC[NH+](CC4)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)NC[C@H](C2=CC3=C(C=C2)OCO3)[NH+]4CC[NH+](CC4)C

InChI

InChI=1S/C21H27N3O4S/c1-16-3-6-18(7-4-16)29(25,26)22-14-19(24-11-9-23(2)10-12-24)17-5-8-20-21(13-17)28-15-27-20/h3-8,13,19,22H,9-12,14-15H2,1-2H3/p+2/t19-/m1/s1