(7-methyl-2-oxidanylidene-chromen-4-yl)methyl 4-oxidanylidene-4-[4-(phenylsulfonyl)piperazin-1-yl]butanoate

Systemtic Name: (7-methyl-2-oxidanylidene-chromen-4-yl)methyl 4-oxidanylidene-4-[4-(phenylsulfonyl)piperazin-1-yl]butanoate Openeye Name: (7-methyl-2-oxo-chromen-4-yl)methyl 4-[4-(benzenesulfonyl)piperazin-1-yl]-4-oxo-butanoate CAS Name: 4-[4-(benzenesulfonyl)-1-piperazinyl]-4-oxobutanoic acid (7-methyl-2-oxo-1-benzopyran-4-yl)methyl ester IUPAC Name: (7-methyl-2-oxochromen-4-yl)methyl 4-[4-(benzenesulfonyl)piperazin-1-yl]-4-oxobutanoate Traditional Name: 4-(4-besylpiperazino)-4-keto-butyric acid (2-keto-7-methyl-chromen-4-yl)methyl ester Formula: C25H26N2O7S MolecularWeight: 498.54814

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)C(=CC(=O)O2)COC(=O)CCC(=O)N3CCN(CC3)S(=O)(=O)C4=CC=CC=C4

Isomeric SMILES

CC1=CC2=C(C=C1)C(=CC(=O)O2)COC(=O)CCC(=O)N3CCN(CC3)S(=O)(=O)C4=CC=CC=C4

InChI

InChI=1S/C25H26N2O7S/c1-18-7-8-21-19(16-25(30)34-22(21)15-18)17-33-24(29)10-9-23(28)26-11-13-27(14-12-26)35(31,32)20-5-3-2-4-6-20/h2-8,15-16H,9-14,17H2,1H3