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

Systemtic Name: 7-ethyl-4-[(4-thiophen-2-ylsulfonylpiperazin-1-ium-1-yl)methyl]chromen-2-one Openeye Name: 7-ethyl-4-[[4-(2-thienylsulfonyl)piperazin-1-ium-1-yl]methyl]chromen-2-one CAS Name: 7-ethyl-4-[(4-thiophen-2-ylsulfonyl-1-piperazin-1-iumyl)methyl]-1-benzopyran-2-one IUPAC Name: 7-ethyl-4-[(4-thiophen-2-ylsulfonylpiperazin-1-ium-1-yl)methyl]chromen-2-one Traditional Name: 7-ethyl-4-[[4-(2-thienylsulfonyl)piperazin-1-ium-1-yl]methyl]coumarin Formula: C20H23N2O4S2+ MolecularWeight: 419.53762

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(C=C1)C(=CC(=O)O2)C[NH+]3CCN(CC3)S(=O)(=O)C4=CC=CS4

Isomeric SMILES

CCC1=CC2=C(C=C1)C(=CC(=O)O2)C[NH+]3CCN(CC3)S(=O)(=O)C4=CC=CS4

InChI

InChI=1S/C20H22N2O4S2/c1-2-15-5-6-17-16(13-19(23)26-18(17)12-15)14-21-7-9-22(10-8-21)28(24,25)20-4-3-11-27-20/h3-6,11-13H,2,7-10,14H2,1H3/p+1