4-methoxy-N-(2-oxidanyl-4-pyrrolidin-1-ium-1-ylidene-chromen-3-yl)benzenesulfonamide

Systemtic Name: 4-methoxy-N-(2-oxidanyl-4-pyrrolidin-1-ium-1-ylidene-chromen-3-yl)benzenesulfonamide Openeye Name: N-(2-hydroxy-4-pyrrolidin-1-ium-1-ylidene-chromen-3-yl)-4-methoxy-benzenesulfonamide CAS Name: N-[2-hydroxy-4-(1-pyrrolidin-1-iumylidene)-1-benzopyran-3-yl]-4-methoxybenzenesulfonamide IUPAC Name: N-(2-hydroxy-4-pyrrolidin-1-ium-1-ylidenechromen-3-yl)-4-methoxybenzenesulfonamide Traditional Name: N-(2-hydroxy-4-pyrrolidin-1-ium-1-ylidene-chromen-3-yl)-4-methoxy-benzenesulfonamide Formula: C20H21N2O5S+ MolecularWeight: 401.45614

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)S(=O)(=O)NC2=C(OC3=CC=CC=C3C2=[N+]4CCCC4)O

Isomeric SMILES

COC1=CC=C(C=C1)S(=O)(=O)NC2=C(OC3=CC=CC=C3C2=[N+]4CCCC4)O

InChI

InChI=1S/C20H20N2O5S/c1-26-14-8-10-15(11-9-14)28(24,25)21-18-19(22-12-4-5-13-22)16-6-2-3-7-17(16)27-20(18)23/h2-3,6-11,21H,4-5,12-13H2,1H3/p+1