3-[4-(4-tert-butyl-2,6-dimethyl-phenyl)sulfonylpiperazin-1-yl]carbonylchromen-2-one

Systemtic Name: 3-[4-(4-tert-butyl-2,6-dimethyl-phenyl)sulfonylpiperazin-1-yl]carbonylchromen-2-one Openeye Name: 3-[4-(4-tert-butyl-2,6-dimethyl-phenyl)sulfonylpiperazine-1-carbonyl]chromen-2-one CAS Name: 3-[[4-(4-tert-butyl-2,6-dimethylphenyl)sulfonyl-1-piperazinyl]-oxomethyl]-1-benzopyran-2-one IUPAC Name: 3-[4-(4-tert-butyl-2,6-dimethylphenyl)sulfonylpiperazine-1-carbonyl]chromen-2-one Traditional Name: 3-[4-(4-tert-butyl-2,6-dimethyl-phenyl)sulfonylpiperazine-1-carbonyl]coumarin Formula: C26H30N2O5S MolecularWeight: 482.5918

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1S(=O)(=O)N2CCN(CC2)C(=O)C3=CC4=CC=CC=C4OC3=O)C)C(C)(C)C

Isomeric SMILES

CC1=CC(=CC(=C1S(=O)(=O)N2CCN(CC2)C(=O)C3=CC4=CC=CC=C4OC3=O)C)C(C)(C)C

InChI

InChI=1S/C26H30N2O5S/c1-17-14-20(26(3,4)5)15-18(2)23(17)34(31,32)28-12-10-27(11-13-28)24(29)21-16-19-8-6-7-9-22(19)33-25(21)30/h6-9,14-16H,10-13H2,1-5H3