N-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-3-(4-methylpiperazin-4-ium-1-yl)sulfonyl-benzamide

Systemtic Name: N-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-3-(4-methylpiperazin-4-ium-1-yl)sulfonyl-benzamide Openeye Name: N-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-3-(4-methylpiperazin-4-ium-1-yl)sulfonyl-benzamide CAS Name: N-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-3-[(4-methyl-1-piperazin-4-iumyl)sulfonyl]benzamide IUPAC Name: N-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-3-(4-methylpiperazin-4-ium-1-yl)sulfonylbenzamide Traditional Name: N-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-3-(4-methylpiperazin-4-ium-1-yl)sulfonyl-benzamide Formula: C21H26N3O5S+ MolecularWeight: 432.51324

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)S(=O)(=O)C2=CC=CC(=C2)C(=O)NCC3COC4=CC=CC=C4O3

Isomeric SMILES

C[NH+]1CCN(CC1)S(=O)(=O)C2=CC=CC(=C2)C(=O)NC[C@@H]3COC4=CC=CC=C4O3

InChI

InChI=1S/C21H25N3O5S/c1-23-9-11-24(12-10-23)30(26,27)18-6-4-5-16(13-18)21(25)22-14-17-15-28-19-7-2-3-8-20(19)29-17/h2-8,13,17H,9-12,14-15H2,1H3,(H,22,25)/p+1/t17-/m1/s1