2-(3-tert-butyl-4-oxidanyl-phenyl)-2-(methylamino)-1-(4-methylsulfonylpiperazin-1-yl)propan-1-one

Systemtic Name: 2-(3-tert-butyl-4-oxidanyl-phenyl)-2-(methylamino)-1-(4-methylsulfonylpiperazin-1-yl)propan-1-one Openeye Name: 2-(3-tert-butyl-4-hydroxy-phenyl)-2-(methylamino)-1-(4-methylsulfonylpiperazin-1-yl)propan-1-one CAS Name: 2-(3-tert-butyl-4-hydroxyphenyl)-2-(methylamino)-1-(4-methylsulfonyl-1-piperazinyl)-1-propanone IUPAC Name: 2-(3-tert-butyl-4-hydroxyphenyl)-2-(methylamino)-1-(4-methylsulfonylpiperazin-1-yl)propan-1-one Traditional Name: 2-(3-tert-butyl-4-hydroxy-phenyl)-1-(4-mesylpiperazino)-2-(methylamino)propan-1-one Formula: C19H31N3O4S MolecularWeight: 397.53214

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=C(C=CC(=C1)C(C)(C(=O)N2CCN(CC2)S(=O)(=O)C)NC)O

Isomeric SMILES

CC(C)(C)C1=C(C=CC(=C1)C(C)(C(=O)N2CCN(CC2)S(=O)(=O)C)NC)O

InChI

InChI=1S/C19H31N3O4S/c1-18(2,3)15-13-14(7-8-16(15)23)19(4,20-5)17(24)21-9-11-22(12-10-21)27(6,25)26/h7-8,13,20,23H,9-12H2,1-6H3