N-[4-(4-methylpiperazin-4-ium-1-yl)sulfonylphenyl]-2-oxidanylidene-chromene-3-carboxamide

Systemtic Name: N-[4-(4-methylpiperazin-4-ium-1-yl)sulfonylphenyl]-2-oxidanylidene-chromene-3-carboxamide Openeye Name: N-[4-(4-methylpiperazin-4-ium-1-yl)sulfonylphenyl]-2-oxo-chromene-3-carboxamide CAS Name: N-[4-[(4-methyl-1-piperazin-4-iumyl)sulfonyl]phenyl]-2-oxo-1-benzopyran-3-carboxamide IUPAC Name: N-[4-(4-methylpiperazin-4-ium-1-yl)sulfonylphenyl]-2-oxochromene-3-carboxamide Traditional Name: 2-keto-N-[4-(4-methylpiperazin-4-ium-1-yl)sulfonylphenyl]chromene-3-carboxamide Formula: C21H22N3O5S+ MolecularWeight: 428.48148

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)C3=CC4=CC=CC=C4OC3=O

Isomeric SMILES

C[NH+]1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)C3=CC4=CC=CC=C4OC3=O

InChI

InChI=1S/C21H21N3O5S/c1-23-10-12-24(13-11-23)30(27,28)17-8-6-16(7-9-17)22-20(25)18-14-15-4-2-3-5-19(15)29-21(18)26/h2-9,14H,10-13H2,1H3,(H,22,25)/p+1