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

Systemtic Name: 4-[[4-(4-tert-butylphenyl)sulfonylpiperazin-1-yl]methyl]-7-methyl-6-propan-2-yl-chromen-2-one Openeye Name: 4-[[4-(4-tert-butylphenyl)sulfonylpiperazin-1-yl]methyl]-6-isopropyl-7-methyl-chromen-2-one CAS Name: 4-[[4-(4-tert-butylphenyl)sulfonyl-1-piperazinyl]methyl]-7-methyl-6-propan-2-yl-1-benzopyran-2-one IUPAC Name: 4-[[4-(4-tert-butylphenyl)sulfonylpiperazin-1-yl]methyl]-7-methyl-6-propan-2-ylchromen-2-one Traditional Name: 4-[[4-(4-tert-butylphenyl)sulfonylpiperazino]methyl]-6-isopropyl-7-methyl-coumarin Formula: C28H36N2O4S MolecularWeight: 496.66144

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

Isomeric SMILES

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

InChI

InChI=1S/C28H36N2O4S/c1-19(2)24-17-25-21(16-27(31)34-26(25)15-20(24)3)18-29-11-13-30(14-12-29)35(32,33)23-9-7-22(8-10-23)28(4,5)6/h7-10,15-17,19H,11-14,18H2,1-6H3