4-[[4-(3-ethanoylphenyl)sulfonylpiperazin-1-yl]methyl]-7-methyl-6-propan-2-yl-chromen-2-one

Systemtic Name: 4-[[4-(3-ethanoylphenyl)sulfonylpiperazin-1-yl]methyl]-7-methyl-6-propan-2-yl-chromen-2-one Openeye Name: 4-[[4-(3-acetylphenyl)sulfonylpiperazin-1-yl]methyl]-6-isopropyl-7-methyl-chromen-2-one CAS Name: 4-[[4-(3-acetylphenyl)sulfonyl-1-piperazinyl]methyl]-7-methyl-6-propan-2-yl-1-benzopyran-2-one IUPAC Name: 4-[[4-(3-acetylphenyl)sulfonylpiperazin-1-yl]methyl]-7-methyl-6-propan-2-ylchromen-2-one Traditional Name: 4-[[4-(3-acetylphenyl)sulfonylpiperazino]methyl]-6-isopropyl-7-methyl-coumarin Formula: C26H30N2O5S MolecularWeight: 482.5918

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C(=CC(=O)OC2=C1)CN3CCN(CC3)S(=O)(=O)C4=CC=CC(=C4)C(=O)C)C(C)C

Isomeric SMILES

CC1=C(C=C2C(=CC(=O)OC2=C1)CN3CCN(CC3)S(=O)(=O)C4=CC=CC(=C4)C(=O)C)C(C)C

InChI

InChI=1S/C26H30N2O5S/c1-17(2)23-15-24-21(14-26(30)33-25(24)12-18(23)3)16-27-8-10-28(11-9-27)34(31,32)22-7-5-6-20(13-22)19(4)29/h5-7,12-15,17H,8-11,16H2,1-4H3