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

Systemtic Name: N-[3-(4-ethylpiperazin-1-yl)sulfonylphenyl]-1-oxidanylidene-3,4-dihydroisochromene-3-carboxamide Openeye Name: N-[3-(4-ethylpiperazin-1-yl)sulfonylphenyl]-1-oxo-isochromane-3-carboxamide CAS Name: N-[3-[(4-ethyl-1-piperazinyl)sulfonyl]phenyl]-1-oxo-3,4-dihydro-1H-2-benzopyran-3-carboxamide IUPAC Name: N-[3-(4-ethylpiperazin-1-yl)sulfonylphenyl]-1-oxo-3,4-dihydroisochromene-3-carboxamide Traditional Name: N-[3-(4-ethylpiperazino)sulfonylphenyl]-1-keto-isochroman-3-carboxamide Formula: C22H25N3O5S MolecularWeight: 443.516

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCN(CC1)S(=O)(=O)C2=CC=CC(=C2)NC(=O)C3CC4=CC=CC=C4C(=O)O3

Isomeric SMILES

CCN1CCN(CC1)S(=O)(=O)C2=CC=CC(=C2)NC(=O)C3CC4=CC=CC=C4C(=O)O3

InChI

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