(3R)-N-[2-methoxy-5-(4-methylpiperazin-4-ium-1-yl)sulfonyl-phenyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide

Systemtic Name: (3R)-N-[2-methoxy-5-(4-methylpiperazin-4-ium-1-yl)sulfonyl-phenyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide Openeye Name: (3R)-N-[2-methoxy-5-(4-methylpiperazin-4-ium-1-yl)sulfonyl-phenyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide CAS Name: (3R)-N-[2-methoxy-5-[(4-methyl-1-piperazin-4-iumyl)sulfonyl]phenyl]-2,3-dihydro-1,4-benzodioxin-3-carboxamide IUPAC Name: (3R)-N-[2-methoxy-5-(4-methylpiperazin-4-ium-1-yl)sulfonylphenyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide Traditional Name: (3R)-N-[2-methoxy-5-(4-methylpiperazin-4-ium-1-yl)sulfonyl-phenyl]-2,3-dihydro-1,4-benzodioxin-3-carboxamide Formula: C21H26N3O6S+ MolecularWeight: 448.51264

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)OC)NC(=O)C3COC4=CC=CC=C4O3

Isomeric SMILES

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

InChI

InChI=1S/C21H25N3O6S/c1-23-9-11-24(12-10-23)31(26,27)15-7-8-17(28-2)16(13-15)22-21(25)20-14-29-18-5-3-4-6-19(18)30-20/h3-8,13,20H,9-12,14H2,1-2H3,(H,22,25)/p+1/t20-/m1/s1