ethyl N-[2-oxidanylidene-4-[[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-ium-1-yl]methyl]chromen-7-yl]carbamate

Systemtic Name: ethyl N-[2-oxidanylidene-4-[[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-ium-1-yl]methyl]chromen-7-yl]carbamate Openeye Name: ethyl N-[4-[[4-(4-isopropylphenyl)sulfonylpiperazin-1-ium-1-yl]methyl]-2-oxo-chromen-7-yl]carbamate CAS Name: N-[2-oxo-4-[[4-(4-propan-2-ylphenyl)sulfonyl-1-piperazin-1-iumyl]methyl]-1-benzopyran-7-yl]carbamic acid ethyl ester IUPAC Name: ethyl N-[2-oxo-4-[[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-ium-1-yl]methyl]chromen-7-yl]carbamate Traditional Name: N-[2-keto-4-[(4-p-cumenylsulfonylpiperazin-1-ium-1-yl)methyl]chromen-7-yl]carbamic acid ethyl ester Formula: C26H32N3O6S+ MolecularWeight: 514.61378

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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=C(C=C4)C(C)C

Isomeric SMILES

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

InChI

InChI=1S/C26H31N3O6S/c1-4-34-26(31)27-21-7-10-23-20(15-25(30)35-24(23)16-21)17-28-11-13-29(14-12-28)36(32,33)22-8-5-19(6-9-22)18(2)3/h5-10,15-16,18H,4,11-14,17H2,1-3H3,(H,27,31)/p+1