ethyl N-[2-oxidanylidene-4-[[4-(phenylsulfonyl)piperazin-1-ium-1-yl]methyl]chromen-7-yl]carbamate

Systemtic Name: ethyl N-[2-oxidanylidene-4-[[4-(phenylsulfonyl)piperazin-1-ium-1-yl]methyl]chromen-7-yl]carbamate Openeye Name: ethyl N-[4-[[4-(benzenesulfonyl)piperazin-1-ium-1-yl]methyl]-2-oxo-chromen-7-yl]carbamate CAS Name: N-[4-[[4-(benzenesulfonyl)-1-piperazin-1-iumyl]methyl]-2-oxo-1-benzopyran-7-yl]carbamic acid ethyl ester IUPAC Name: ethyl N-[4-[[4-(benzenesulfonyl)piperazin-1-ium-1-yl]methyl]-2-oxochromen-7-yl]carbamate Traditional Name: N-[4-[(4-besylpiperazin-1-ium-1-yl)methyl]-2-keto-chromen-7-yl]carbamic acid ethyl ester Formula: C23H26N3O6S+ MolecularWeight: 472.53404

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)NC1=CC2=C(C=C1)C(=CC(=O)O2)C[NH+]3CCN(CC3)S(=O)(=O)C4=CC=CC=C4

Isomeric SMILES

CCOC(=O)NC1=CC2=C(C=C1)C(=CC(=O)O2)C[NH+]3CCN(CC3)S(=O)(=O)C4=CC=CC=C4

InChI

InChI=1S/C23H25N3O6S/c1-2-31-23(28)24-18-8-9-20-17(14-22(27)32-21(20)15-18)16-25-10-12-26(13-11-25)33(29,30)19-6-4-3-5-7-19/h3-9,14-15H,2,10-13,16H2,1H3,(H,24,28)/p+1