8-methyl-7-oxidanyl-4-[(4-thiophen-2-ylsulfonylpiperazin-1-ium-1-yl)methyl]chromen-2-one

Systemtic Name: 8-methyl-7-oxidanyl-4-[(4-thiophen-2-ylsulfonylpiperazin-1-ium-1-yl)methyl]chromen-2-one Openeye Name: 7-hydroxy-8-methyl-4-[[4-(2-thienylsulfonyl)piperazin-1-ium-1-yl]methyl]chromen-2-one CAS Name: 7-hydroxy-8-methyl-4-[(4-thiophen-2-ylsulfonyl-1-piperazin-1-iumyl)methyl]-1-benzopyran-2-one IUPAC Name: 7-hydroxy-8-methyl-4-[(4-thiophen-2-ylsulfonylpiperazin-1-ium-1-yl)methyl]chromen-2-one Traditional Name: 7-hydroxy-8-methyl-4-[[4-(2-thienylsulfonyl)piperazin-1-ium-1-yl]methyl]coumarin Formula: C19H21N2O5S2+ MolecularWeight: 421.51044

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC2=C1OC(=O)C=C2C[NH+]3CCN(CC3)S(=O)(=O)C4=CC=CS4)O

Isomeric SMILES

CC1=C(C=CC2=C1OC(=O)C=C2C[NH+]3CCN(CC3)S(=O)(=O)C4=CC=CS4)O

InChI

InChI=1S/C19H20N2O5S2/c1-13-16(22)5-4-15-14(11-17(23)26-19(13)15)12-20-6-8-21(9-7-20)28(24,25)18-3-2-10-27-18/h2-5,10-11,22H,6-9,12H2,1H3/p+1