(2R)-N-[4-(4-methylpiperazin-4-ium-1-yl)sulfonylphenyl]-2,3-dihydro-1-benzofuran-2-carboxamide

Systemtic Name: (2R)-N-[4-(4-methylpiperazin-4-ium-1-yl)sulfonylphenyl]-2,3-dihydro-1-benzofuran-2-carboxamide Openeye Name: (2R)-N-[4-(4-methylpiperazin-4-ium-1-yl)sulfonylphenyl]-2,3-dihydrobenzofuran-2-carboxamide CAS Name: (2R)-N-[4-[(4-methyl-1-piperazin-4-iumyl)sulfonyl]phenyl]-2,3-dihydrobenzofuran-2-carboxamide IUPAC Name: (2R)-N-[4-(4-methylpiperazin-4-ium-1-yl)sulfonylphenyl]-2,3-dihydro-1-benzofuran-2-carboxamide Traditional Name: (2R)-N-[4-(4-methylpiperazin-4-ium-1-yl)sulfonylphenyl]coumaran-2-carboxamide Formula: C20H24N3O4S+ MolecularWeight: 402.48726

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)C3CC4=CC=CC=C4O3

Isomeric SMILES

C[NH+]1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)[C@H]3CC4=CC=CC=C4O3

InChI

InChI=1S/C20H23N3O4S/c1-22-10-12-23(13-11-22)28(25,26)17-8-6-16(7-9-17)21-20(24)19-14-15-4-2-3-5-18(15)27-19/h2-9,19H,10-14H2,1H3,(H,21,24)/p+1/t19-/m1/s1