7,8-dimethyl-4-[[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-yl]methyl]chromen-2-one

Systemtic Name: 7,8-dimethyl-4-[[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-yl]methyl]chromen-2-one Openeye Name: 4-[[4-(4-isopropylphenyl)sulfonylpiperazin-1-yl]methyl]-7,8-dimethyl-chromen-2-one CAS Name: 7,8-dimethyl-4-[[4-(4-propan-2-ylphenyl)sulfonyl-1-piperazinyl]methyl]-1-benzopyran-2-one IUPAC Name: 7,8-dimethyl-4-[[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-yl]methyl]chromen-2-one Traditional Name: 7,8-dimethyl-4-[(4-p-cumenylsulfonylpiperazino)methyl]coumarin Formula: C25H30N2O4S MolecularWeight: 454.5817

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(C=C1)C(=CC(=O)O2)CN3CCN(CC3)S(=O)(=O)C4=CC=C(C=C4)C(C)C)C

Isomeric SMILES

CC1=C(C2=C(C=C1)C(=CC(=O)O2)CN3CCN(CC3)S(=O)(=O)C4=CC=C(C=C4)C(C)C)C

InChI

InChI=1S/C25H30N2O4S/c1-17(2)20-6-8-22(9-7-20)32(29,30)27-13-11-26(12-14-27)16-21-15-24(28)31-25-19(4)18(3)5-10-23(21)25/h5-10,15,17H,11-14,16H2,1-4H3