7-[2-[4-[4-[(2S)-butan-2-yl]phenyl]sulfonylpiperazin-1-yl]-2-oxidanylidene-ethoxy]-4-methyl-chromen-2-one

Systemtic Name: 7-[2-[4-[4-[(2S)-butan-2-yl]phenyl]sulfonylpiperazin-1-yl]-2-oxidanylidene-ethoxy]-4-methyl-chromen-2-one Openeye Name: 4-methyl-7-[2-[4-[4-[(1S)-1-methylpropyl]phenyl]sulfonylpiperazin-1-yl]-2-oxo-ethoxy]chromen-2-one CAS Name: 7-[2-[4-[4-[(2S)-butan-2-yl]phenyl]sulfonyl-1-piperazinyl]-2-oxoethoxy]-4-methyl-1-benzopyran-2-one IUPAC Name: 7-[2-[4-[4-[(2S)-butan-2-yl]phenyl]sulfonylpiperazin-1-yl]-2-oxoethoxy]-4-methylchromen-2-one Traditional Name: 7-[2-keto-2-[4-[4-[(1S)-1-methylpropyl]phenyl]sulfonylpiperazino]ethoxy]-4-methyl-coumarin Formula: C26H30N2O6S MolecularWeight: 498.5912

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)COC3=CC4=C(C=C3)C(=CC(=O)O4)C

Isomeric SMILES

CC[C@H](C)C1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)COC3=CC4=C(C=C3)C(=CC(=O)O4)C

InChI

InChI=1S/C26H30N2O6S/c1-4-18(2)20-5-8-22(9-6-20)35(31,32)28-13-11-27(12-14-28)25(29)17-33-21-7-10-23-19(3)15-26(30)34-24(23)16-21/h5-10,15-16,18H,4,11-14,17H2,1-3H3/t18-/m0/s1