(3R)-N-[4-(4-ethylpiperazin-4-ium-1-yl)sulfonylphenyl]-1-oxidanylidene-3,4-dihydroisochromene-3-carboxamide

Systemtic Name: (3R)-N-[4-(4-ethylpiperazin-4-ium-1-yl)sulfonylphenyl]-1-oxidanylidene-3,4-dihydroisochromene-3-carboxamide Openeye Name: (3R)-N-[4-(4-ethylpiperazin-4-ium-1-yl)sulfonylphenyl]-1-oxo-isochromane-3-carboxamide CAS Name: (3R)-N-[4-[(4-ethyl-1-piperazin-4-iumyl)sulfonyl]phenyl]-1-oxo-3,4-dihydro-1H-2-benzopyran-3-carboxamide IUPAC Name: (3R)-N-[4-(4-ethylpiperazin-4-ium-1-yl)sulfonylphenyl]-1-oxo-3,4-dihydroisochromene-3-carboxamide Traditional Name: (3R)-N-[4-(4-ethylpiperazin-4-ium-1-yl)sulfonylphenyl]-1-keto-isochroman-3-carboxamide Formula: C22H26N3O5S+ MolecularWeight: 444.52394

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)C3CC4=CC=CC=C4C(=O)O3

Isomeric SMILES

CC[NH+]1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)[C@H]3CC4=CC=CC=C4C(=O)O3

InChI

InChI=1S/C22H25N3O5S/c1-2-24-11-13-25(14-12-24)31(28,29)18-9-7-17(8-10-18)23-21(26)20-15-16-5-3-4-6-19(16)22(27)30-20/h3-10,20H,2,11-15H2,1H3,(H,23,26)/p+1/t20-/m1/s1